ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate

C18H14ClNO3 — CID 131867124

IUPACethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)noc1-c1ccccc1
InChIInChI=1S/C18H14ClNO3/c1-2-22-18(21)15-16(12-8-10-14(19)11-9-12)20-23-17(15)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyFCALFKNUKUQFKY-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.84
Rot. Bonds4

About ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate

ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 131867124) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate
PubChem CID131867124
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Nameethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)noc1-c1ccccc1
InChIInChI=1S/C18H14ClNO3/c1-2-22-18(21)15-16(12-8-10-14(19)11-9-12)20-23-17(15)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyFCALFKNUKUQFKY-UHFFFAOYSA-N
XLogP4.84
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[1-(4-chlorophenyl)triazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 71627503
ethyl 5-[4-[4-(1-ethoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 71266194
ethyl 3,5-bis(3,4-dichlorophenyl)-1,2-oxazole-4-carboxylate
CID 131868454
ethyl 3-phenyl-5-(3-phenyl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate
CID 139094776
ethyl 3-(4-chlorophenyl)-5-(phenoxycarbonylamino)-1,2-oxazole-4-carboxylate
CID 108742877
ethyl 3-(4-chlorophenyl)-5-(propanoylamino)-1,2-oxazole-4-carboxylate
CID 108742866
ethyl 5-(1-benzyltriazol-4-yl)-3-phenyl-1,2-oxazole-4-carboxylate
CID 71627496
ethyl 5-[(2-bromobenzoyl)amino]-3-(4-chlorophenyl)-1,2-oxazole-4-carboxylate
CID 108765229
ethyl 3-(4-chlorophenyl)-5-(2-methylpropanoylamino)-1,2-oxazole-4-carboxylate
CID 108742858
ethyl 3-(4-chlorophenyl)-5-[(3-methylquinoxalin-2-yl)amino]-1,2-oxazole-4-carboxylate
CID 108777358
ethyl 5-[bromo(difluoro)methyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 23236715
ethyl 3-(methylcarbamoyl)-5-phenyl-1,2-oxazole-4-carboxylate
CID 57333911

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate (CID 131867124) is ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)cc2)noc1-c1ccccc1.
What is the InChIKey of ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is FCALFKNUKUQFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-2-22-18(21)15-16(12-8-10-14(19)11-9-12)20-23-17(15)13-6-4-3-5-7-13/h3-11H,2H2,1H3.
What are the key properties of ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate?
ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 327.77 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 131867124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).