[2-(4-chloro-2-methylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

C20H17ClN2O4 — CID 7726332

IUPAC[2-(4-chloro-2-methylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCc1cc(Cl)ccc1NC(=O)COC(=O)c1nc(-c2ccccc2)oc1C
InChIInChI=1S/C20H17ClN2O4/c1-12-10-15(21)8-9-16(12)22-17(24)11-26-20(25)18-13(2)27-19(23-18)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyYTZQZRLGASWTOK-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.41
Rot. Bonds5

About [2-(4-chloro-2-methylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

[2-(4-chloro-2-methylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 7726332) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is [2-(4-chloro-2-methylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(4-chloro-2-methylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID7726332
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name[2-(4-chloro-2-methylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCc1cc(Cl)ccc1NC(=O)COC(=O)c1nc(-c2ccccc2)oc1C
InChIInChI=1S/C20H17ClN2O4/c1-12-10-15(21)8-9-16(12)22-17(24)11-26-20(25)18-13(2)27-19(23-18)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyYTZQZRLGASWTOK-UHFFFAOYSA-N
XLogP4.41
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,3-dichloroanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727433
[2-oxo-2-(2-phenylanilino)ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726467
[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 41185478
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726729
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727368
[2-(4-methoxyanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727320
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727233
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 7351802
2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 55310658
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727437
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727492
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727490

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (CID 7726332) is [2-(4-chloro-2-methylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is Cc1cc(Cl)ccc1NC(=O)COC(=O)c1nc(-c2ccccc2)oc1C.
What is the InChIKey of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is YTZQZRLGASWTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-12-10-15(21)8-9-16(12)22-17(24)11-26-20(25)18-13(2)27-19(23-18)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,22,24).
What are the key properties of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 384.82 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 7726332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).