ethyl 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate

C18H17NO3 — CID 25270952

IUPACethyl 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=NOC(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C18H17NO3/c1-2-21-18(20)16-12-17(22-19-16)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,17H,2,12H2,1H3
InChIKeyJSIGXYGNEILTGC-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.73
Rot. Bonds4

About ethyl 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate

ethyl 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate (PubChem CID 25270952) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
PubChem CID25270952
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Nameethyl 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=NOC(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C18H17NO3/c1-2-21-18(20)16-12-17(22-19-16)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,17H,2,12H2,1H3
InChIKeyJSIGXYGNEILTGC-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Isoxadifen-ethyl
CID 6451155
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
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
methyl (4S)-3-methyl-5-(p-tolyl)-4,5-dihydroisoxazole-4-carboxylate; methyl (5R)-3-methyl-4-(p-tolyl)-4,5-dihydroisoxazole-5-carboxylate
CID 16075502
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
4,5-Dihydro-3-(4-isopropylphenyl)-5-[4-(trifluoromethyl)phenyl]isoxazole-4-carboxylic acid
CID 129836322
Ethyl 4,5-dihydro-3-(4-isopropylphenyl)-5-[4-(trifluoromethyl)phenyl]isoxazole-4-carboxylate
CID 129837989

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate (CID 25270952) is ethyl 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate is CCOC(=O)C1=NOC(c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of ethyl 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate?
The InChIKey is JSIGXYGNEILTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-2-21-18(20)16-12-17(22-19-16)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,17H,2,12H2,1H3.
What are the key properties of ethyl 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate?
ethyl 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 25270952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).