ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate

C18H17NO3 — CID 6451155

IUPACethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=NOC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C18H17NO3/c1-2-21-17(20)16-13-18(22-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKeyMWKVXOJATACCCH-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.27
Rot. Bonds4

About ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate

ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate (PubChem CID 6451155) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
PubChem CID6451155
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Nameethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=NOC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C18H17NO3/c1-2-21-17(20)16-13-18(22-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKeyMWKVXOJATACCCH-UHFFFAOYSA-N
XLogP3.27
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 13081532
(Z)-7-[(1S,2E,5R)-2-benzhydryloxyimino-5-methylcyclopentyl]hept-5-enoic acid
CID 44273309
methyl (2E)-2-[2-[[(E)-1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 24970806
Ethyl 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
CID 25270952
Ethyl 5-[4-(4-formylphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
CID 25270953
Benzyl 5-[4-(5-oxooxolan-2-yl)butyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
CID 44580416
13-Phenylmethoxyimino-oxacyclohexadecan-2-one
CID 122177215
Isoxadifen
CID 6451156
2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester
CID 538822
5-(4-Methylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 25248671
Ethyl 4,5-dihydro-3-(4-isopropylphenyl)-5-[4-(trifluoromethyl)phenyl]isoxazole-4-carboxylate
CID 129837989
Ethyl 5-phenyl-5-(trifluoromethyl)-4,5-dihydroisoxazole-3-carboxylate
CID 137797238

Frequently Asked Questions

What is the IUPAC name of ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate (CID 6451155) is ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate is CCOC(=O)C1=NOC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate?
The InChIKey is MWKVXOJATACCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-2-21-17(20)16-13-18(22-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3.
What are the key properties of ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate?
ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 6451155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).