ethyl 5-ethyl-3-phenyl-2H-1,2-oxazole-5-carboxylate

C14H17NO3 — CID 91248647

IUPACethyl 5-ethyl-3-phenyl-2H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(CC)C=C(c2ccccc2)NO1
InChIInChI=1S/C14H17NO3/c1-3-14(13(16)17-4-2)10-12(15-18-14)11-8-6-5-7-9-11/h5-10,15H,3-4H2,1-2H3
InChIKeySMEKELDWLFSVIR-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.27
Rot. Bonds4

About ethyl 5-ethyl-3-phenyl-2H-1,2-oxazole-5-carboxylate

ethyl 5-ethyl-3-phenyl-2H-1,2-oxazole-5-carboxylate (PubChem CID 91248647) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl 5-ethyl-3-phenyl-2H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-3-phenyl-2H-1,2-oxazole-5-carboxylate
PubChem CID91248647
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nameethyl 5-ethyl-3-phenyl-2H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(CC)C=C(c2ccccc2)NO1
InChIInChI=1S/C14H17NO3/c1-3-14(13(16)17-4-2)10-12(15-18-14)11-8-6-5-7-9-11/h5-10,15H,3-4H2,1-2H3
InChIKeySMEKELDWLFSVIR-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 5-ethyl-3-phenyl-2H-1,2-oxazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 91470250
5-methyl-3-phenyl-2H-1,2-oxazole-5-carboxylic acid
CID 19976915
3-Phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57036549
Propan-2-yl 3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 57042460
Methyl 3-(3-cyanophenyl)-4-methyl-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 57076786
Tert-butyl 3-(4-formylphenyl)-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 57117046
ethyl 5-ethyl-3-naphthalen-2-yl-2H-1,2-oxazole-5-carboxylate
CID 90781978
Methyl 3-(3-aminophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 90988641
methyl 5-methyl-3-phenyl-2H-1,2-oxazole-5-carboxylate
CID 91160096
ethyl 3-benzoyl-5-ethyl-2H-1,2-oxazole-5-carboxylate
CID 91316572
Methyl 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 91319811
5-ethyl-3-(2-propan-2-ylphenyl)-2H-1,2-oxazole-5-carboxylic acid
CID 91579203

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-3-phenyl-2H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 5-ethyl-3-phenyl-2H-1,2-oxazole-5-carboxylate (CID 91248647) is ethyl 5-ethyl-3-phenyl-2H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-3-phenyl-2H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 5-ethyl-3-phenyl-2H-1,2-oxazole-5-carboxylate is CCOC(=O)C1(CC)C=C(c2ccccc2)NO1.
What is the InChIKey of ethyl 5-ethyl-3-phenyl-2H-1,2-oxazole-5-carboxylate?
The InChIKey is SMEKELDWLFSVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-14(13(16)17-4-2)10-12(15-18-14)11-8-6-5-7-9-11/h5-10,15H,3-4H2,1-2H3.
What are the key properties of ethyl 5-ethyl-3-phenyl-2H-1,2-oxazole-5-carboxylate?
ethyl 5-ethyl-3-phenyl-2H-1,2-oxazole-5-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-3-phenyl-2H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 91248647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).