Cas no 106833-52-7 (4-Isoxazolecarboxamide, 5-ethyl-3-methyl-N,N-bis(1-methylethyl)-)
106833-52-7 structure
Product Name:4-Isoxazolecarboxamide, 5-ethyl-3-methyl-N,N-bis(1-methylethyl)-
CAS No:106833-52-7
MF:C13H22N2O2
MW:238.325983524323
CID:1181811
PubChem ID:14715379
Update Time:2025-04-20
4-Isoxazolecarboxamide, 5-ethyl-3-methyl-N,N-bis(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoxazolecarboxamide, 5-ethyl-3-methyl-N,N-bis(1-methylethyl)-
- 5-ethyl-3-methyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide
- 5-ethyl-N,N-diisopropyl-3-methylisoxazole-4-carboxamide
- 106833-52-7
- DTXSID50563291
-
- Inchi: 1S/C13H22N2O2/c1-7-11-12(10(6)14-17-11)13(16)15(8(2)3)9(4)5/h8-9H,7H2,1-6H3
- InChI Key: CAGCTVOXTAQKLK-UHFFFAOYSA-N
- SMILES: O1C(CC)=C(C(C)=N1)C(N(C(C)C)C(C)C)=O
Computed Properties
- Exact Mass: 238.16826
- Monoisotopic Mass: 238.168127949g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 258
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 46.3?2
Experimental Properties
- PSA: 46.34
4-Isoxazolecarboxamide, 5-ethyl-3-methyl-N,N-bis(1-methylethyl)- Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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