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

C17H12ClNO4S — CID 2668439

IUPAC[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCc1oc(-c2ccccc2)nc1C(=O)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H12ClNO4S/c1-10-15(19-16(23-10)11-5-3-2-4-6-11)17(21)22-9-12(20)13-7-8-14(18)24-13/h2-8H,9H2,1H3
InChIKeyVZZHBXYLXQOQPD-UHFFFAOYSA-N
MW361.81 g/mol
LogP4.40
Rot. Bonds5

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

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 2668439) has the molecular formula C17H12ClNO4S and a molecular weight of 361.81 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID2668439
Molecular FormulaC17H12ClNO4S
Molecular Weight361.81 g/mol
Exact Mass361.02
IUPAC Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCc1oc(-c2ccccc2)nc1C(=O)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H12ClNO4S/c1-10-15(19-16(23-10)11-5-3-2-4-6-11)17(21)22-9-12(20)13-7-8-14(18)24-13/h2-8H,9H2,1H3
InChIKeyVZZHBXYLXQOQPD-UHFFFAOYSA-N
XLogP4.40
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(4-phenylphenyl)ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727475
2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 55310658
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2629937
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 46639103
2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 151350857
2,2,2-trifluoroethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 71392848
[2-(2,3-dichloroanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727433
2-(4-chlorophenoxy)ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726389
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726332
[2-oxo-2-(2-phenylanilino)ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726467
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726729
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 2669364

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (CID 2668439) is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)c1ccc(Cl)s1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is VZZHBXYLXQOQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO4S/c1-10-15(19-16(23-10)11-5-3-2-4-6-11)17(21)22-9-12(20)13-7-8-14(18)24-13/h2-8H,9H2,1H3.
What are the key properties of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 361.81 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 2668439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).