ethyl 2-phenyl-1,3-oxazole-4-carboxylate

C12H11NO3 — CID 571056

IUPACethyl 2-phenyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2ccccc2)n1
InChIInChI=1S/C12H11NO3/c1-2-15-12(14)10-8-16-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyOMURDPWNJICYDW-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.52
Rot. Bonds3

About ethyl 2-phenyl-1,3-oxazole-4-carboxylate

ethyl 2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 571056) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is ethyl 2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID571056
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Nameethyl 2-phenyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2ccccc2)n1
InChIInChI=1S/C12H11NO3/c1-2-15-12(14)10-8-16-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyOMURDPWNJICYDW-UHFFFAOYSA-N
XLogP2.52
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 318533
Diphenyloxazole
CID 168750
Methyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate
CID 685354
2-[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]acetic acid
CID 3244952
2-Phenyl-4-oxazolecarboxamide
CID 604678
Ave-8134
CID 11625114
5-Methyl-2-phenyl-4-oxazolecarboxamide
CID 100344
2-(2-Phenyl-1,3-oxazol-4-yl)acetic acid
CID 7131950
4-[(methylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one
CID 571092
Dimethyl [4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]benzylidene]-malonate
CID 10788309
Ethyl 2-(4-Bromophenyl)-5-methyloxazole-4-carboxylate
CID 12868787
Anticancer agent 73
CID 20064063

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-phenyl-1,3-oxazole-4-carboxylate (CID 571056) is ethyl 2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-phenyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(-c2ccccc2)n1.
What is the InChIKey of ethyl 2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is OMURDPWNJICYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-15-12(14)10-8-16-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of ethyl 2-phenyl-1,3-oxazole-4-carboxylate?
ethyl 2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 217.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 571056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).