methyl 4-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]benzoate

C15H10ClNO3S — CID 18613894

IUPACmethyl 4-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nc(-c3ccc(Cl)s3)co2)cc1
InChIInChI=1S/C15H10ClNO3S/c1-19-15(18)10-4-2-9(3-5-10)14-17-11(8-20-14)12-6-7-13(16)21-12/h2-8H,1H3
InChIKeyZWDBMDZNTYSYCS-UHFFFAOYSA-N
MW319.77 g/mol
LogP4.51
Rot. Bonds3

About methyl 4-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]benzoate

methyl 4-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]benzoate (PubChem CID 18613894) has the molecular formula C15H10ClNO3S and a molecular weight of 319.77 g/mol. Its IUPAC name is methyl 4-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]benzoate
PubChem CID18613894
Molecular FormulaC15H10ClNO3S
Molecular Weight319.77 g/mol
Exact Mass319.01
IUPAC Namemethyl 4-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nc(-c3ccc(Cl)s3)co2)cc1
InChIInChI=1S/C15H10ClNO3S/c1-19-15(18)10-4-2-9(3-5-10)14-17-11(8-20-14)12-6-7-13(16)21-12/h2-8H,1H3
InChIKeyZWDBMDZNTYSYCS-UHFFFAOYSA-N
XLogP4.51
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]benzoate
CID 58119372
methyl 4-(5-trimethylsilylthiophen-2-yl)benzoate
CID 46180144
4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazole
CID 82125946
methyl 4-[(5-chlorothiophen-2-yl)methoxy]benzoate
CID 55372452
4-(5-chlorothiophen-2-yl)-N-methyl-1,3-oxazol-2-amine
CID 116832484
methyl 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylate
CID 58119370
methyl 4-tert-butyl-2-(5-chlorothiophen-2-yl)-1,3-oxazole-5-carboxylate
CID 114370800
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
methyl 4-[5-(hydroxymethyl)thiophen-2-yl]benzoate
CID 66742298
methyl 2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422274
methyl 4-[5-(4-methoxycarbonylphenyl)-1,3,4-thiadiazol-2-yl]benzoate
CID 131710035
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]benzoate?
The IUPAC name of methyl 4-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]benzoate (CID 18613894) is methyl 4-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]benzoate.
What is the SMILES notation for methyl 4-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]benzoate?
The canonical SMILES for methyl 4-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]benzoate is COC(=O)c1ccc(-c2nc(-c3ccc(Cl)s3)co2)cc1.
What is the InChIKey of methyl 4-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]benzoate?
The InChIKey is ZWDBMDZNTYSYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3S/c1-19-15(18)10-4-2-9(3-5-10)14-17-11(8-20-14)12-6-7-13(16)21-12/h2-8H,1H3.
What are the key properties of methyl 4-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]benzoate?
methyl 4-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]benzoate has a molecular weight of 319.77 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]benzoate is sourced from PubChem (CID 18613894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).