5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide

C18H15ClN2O2S — CID 20963803

IUPAC5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCSc1ccc(CNC(=O)c2ncoc2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H15ClN2O2S/c1-24-15-7-5-12(6-8-15)10-20-18(22)16-17(23-11-21-16)13-3-2-4-14(19)9-13/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyFMQNODWSHIKMDA-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.65
Rot. Bonds5

About 5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide

5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 20963803) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID20963803
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC Name5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCSc1ccc(CNC(=O)c2ncoc2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H15ClN2O2S/c1-24-15-7-5-12(6-8-15)10-20-18(22)16-17(23-11-21-16)13-3-2-4-14(19)9-13/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyFMQNODWSHIKMDA-UHFFFAOYSA-N
XLogP4.65
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963781
5-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 20963749
5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963785
1-[5-(3-chlorophenyl)-1,3-oxazol-4-yl]ethanone
CID 123160413
5-(3-chlorophenyl)-N-[(2R)-2-phenylpropyl]-1,3-oxazole-4-carboxamide
CID 92711313
5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 2739761
tert-butyl-[2-[[5-(3-chlorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamic acid
CID 70365322
5-(3-chlorophenyl)-N-(2,5-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 3232315
N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 3232242
5-(3-carbamoylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
CID 57394802
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963676
N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689223

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide (CID 20963803) is 5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide is CSc1ccc(CNC(=O)c2ncoc2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is FMQNODWSHIKMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c1-24-15-7-5-12(6-8-15)10-20-18(22)16-17(23-11-21-16)13-3-2-4-14(19)9-13/h2-9,11H,10H2,1H3,(H,20,22).
What are the key properties of 5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide?
5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 358.85 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 20963803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).