4-[(4-chloro-2,5-dimethylphenyl)sulfanylmethyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide

C20H19ClN2O2S — CID 2743435

IUPAC4-[(4-chloro-2,5-dimethylphenyl)sulfanylmethyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(CSc3cc(C)c(Cl)cc3C)cc2)no1
InChIInChI=1S/C20H19ClN2O2S/c1-12-9-18(13(2)8-17(12)21)26-11-15-4-6-16(7-5-15)20(24)22-19-10-14(3)25-23-19/h4-10H,11H2,1-3H3,(H,22,23,24)
InChIKeyXDDLEKJWDISHHW-UHFFFAOYSA-N
MW386.90 g/mol
LogP5.80
Rot. Bonds5

About 4-[(4-chloro-2,5-dimethylphenyl)sulfanylmethyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide

4-[(4-chloro-2,5-dimethylphenyl)sulfanylmethyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 2743435) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is 4-[(4-chloro-2,5-dimethylphenyl)sulfanylmethyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[(4-chloro-2,5-dimethylphenyl)sulfanylmethyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID2743435
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC Name4-[(4-chloro-2,5-dimethylphenyl)sulfanylmethyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(CSc3cc(C)c(Cl)cc3C)cc2)no1
InChIInChI=1S/C20H19ClN2O2S/c1-12-9-18(13(2)8-17(12)21)26-11-15-4-6-16(7-5-15)20(24)22-19-10-14(3)25-23-19/h4-10H,11H2,1-3H3,(H,22,23,24)
InChIKeyXDDLEKJWDISHHW-UHFFFAOYSA-N
XLogP5.80
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.90
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050241
3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 110764772
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 109049837
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 55470219
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62165645
1-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050037
4-chloro-N-[4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]phenyl]benzamide
CID 47485721
1-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109048706
5-chloro-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide
CID 29494934
4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide
CID 3170438
N-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
CID 2284612

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2,5-dimethylphenyl)sulfanylmethyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 4-[(4-chloro-2,5-dimethylphenyl)sulfanylmethyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 2743435) is 4-[(4-chloro-2,5-dimethylphenyl)sulfanylmethyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 4-[(4-chloro-2,5-dimethylphenyl)sulfanylmethyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 4-[(4-chloro-2,5-dimethylphenyl)sulfanylmethyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(CSc3cc(C)c(Cl)cc3C)cc2)no1.
What is the InChIKey of 4-[(4-chloro-2,5-dimethylphenyl)sulfanylmethyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is XDDLEKJWDISHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c1-12-9-18(13(2)8-17(12)21)26-11-15-4-6-16(7-5-15)20(24)22-19-10-14(3)25-23-19/h4-10H,11H2,1-3H3,(H,22,23,24).
What are the key properties of 4-[(4-chloro-2,5-dimethylphenyl)sulfanylmethyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
4-[(4-chloro-2,5-dimethylphenyl)sulfanylmethyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 386.90 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2,5-dimethylphenyl)sulfanylmethyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 2743435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).