N-[(3-chlorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide

C19H17ClN2O2S — CID 9402059

IUPACN-[(3-chlorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide
SMILESCc1cc(CSc2ccccc2C(=O)NCc2cccc(Cl)c2)no1
InChIInChI=1S/C19H17ClN2O2S/c1-13-9-16(22-24-13)12-25-18-8-3-2-7-17(18)19(23)21-11-14-5-4-6-15(20)10-14/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyCAFKNPUAVZEPJB-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.86
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide

N-[(3-chlorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide (PubChem CID 9402059) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide
PubChem CID9402059
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide
SMILESCc1cc(CSc2ccccc2C(=O)NCc2cccc(Cl)c2)no1
InChIInChI=1S/C19H17ClN2O2S/c1-13-9-16(22-24-13)12-25-18-8-3-2-7-17(18)19(23)21-11-14-5-4-6-15(20)10-14/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyCAFKNPUAVZEPJB-UHFFFAOYSA-N
XLogP4.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 36701837
N-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 33283315
N-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide
CID 145422806
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728420
[(1S)-1-cyanoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate
CID 8511492
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate
CID 8510802
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55748589
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 60557369
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 55621007
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 86968387
(4-ethylpiperazin-1-yl)-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone
CID 145422783

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide (CID 9402059) is N-[(3-chlorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide is Cc1cc(CSc2ccccc2C(=O)NCc2cccc(Cl)c2)no1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide?
The InChIKey is CAFKNPUAVZEPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-13-9-16(22-24-13)12-25-18-8-3-2-7-17(18)19(23)21-11-14-5-4-6-15(20)10-14/h2-10H,11-12H2,1H3,(H,21,23).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide?
N-[(3-chlorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide has a molecular weight of 372.88 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 9402059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).