phenacyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

C19H14ClNO4 — CID 1016479

IUPACphenacyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)c1ccccc1
InChIInChI=1S/C19H14ClNO4/c1-12-17(18(21-25-12)14-9-5-6-10-15(14)20)19(23)24-11-16(22)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyIZUMSURANMCBGG-UHFFFAOYSA-N
MW355.78 g/mol
LogP4.34
Rot. Bonds5

About phenacyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

phenacyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 1016479) has the molecular formula C19H14ClNO4 and a molecular weight of 355.78 g/mol. Its IUPAC name is phenacyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namephenacyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID1016479
Molecular FormulaC19H14ClNO4
Molecular Weight355.78 g/mol
Exact Mass355.06
IUPAC Namephenacyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)c1ccccc1
InChIInChI=1S/C19H14ClNO4/c1-12-17(18(21-25-12)14-9-5-6-10-15(14)20)19(23)24-11-16(22)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyIZUMSURANMCBGG-UHFFFAOYSA-N
XLogP4.34
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methoxymethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 9114662
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7377040
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 8704959
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 8704954
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 9336891
[2-(4-acetylanilino)-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 8704980
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 9336620
[2-(2-methylsulfanylanilino)-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7780505
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 9336951
[2-(trifluoromethyl)phenyl]methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7780512
(2-phenyl-1,3-thiazol-4-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7780439
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7377041

Frequently Asked Questions

What is the IUPAC name of phenacyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of phenacyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (CID 1016479) is phenacyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for phenacyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for phenacyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is IZUMSURANMCBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO4/c1-12-17(18(21-25-12)14-9-5-6-10-15(14)20)19(23)24-11-16(22)13-7-3-2-4-8-13/h2-10H,11H2,1H3.
What are the key properties of phenacyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
phenacyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 355.78 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 1016479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).