Cas no 89967-32-8 (2-Oxazolecarboxylic acid, 5-pentyl-, ethyl ester)
89967-32-8 structure
Product Name:2-Oxazolecarboxylic acid, 5-pentyl-, ethyl ester
CAS No:89967-32-8
MF:C11H17NO3
MW:211.257583379745
CID:584572
PubChem ID:13153553
Update Time:2025-04-19
2-Oxazolecarboxylic acid, 5-pentyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Oxazolecarboxylic acid, 5-pentyl-, ethyl ester
- ethyl 5-pentyl-1,3-oxazole-2-carboxylate
- 89967-32-8
- DTXSID10522561
-
- Inchi： 1S/C11H17NO3/c1-3-5-6-7-9-8-12-10(15-9)11(13)14-4-2/h8H,3-7H2,1-2H3
- InChI Key： PGRDLCROYFQLMK-UHFFFAOYSA-N
- SMILES： O1C(C(=O)OCC)=NC=C1CCCCC
Computed Properties
- Exact Mass: 211.12084340g/mol
- Monoisotopic Mass: 211.12084340g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 196
- 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: 3.2
- Topological Polar Surface Area: 52.3?2
2-Oxazolecarboxylic acid, 5-pentyl-, ethyl ester Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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