N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide

C19H18N2O3S — CID 16867217

IUPACN-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide
SMILESCOc1ccc(-c2cc(CNC(=O)c3ccccc3SC)no2)cc1
InChIInChI=1S/C19H18N2O3S/c1-23-15-9-7-13(8-10-15)17-11-14(21-24-17)12-20-19(22)16-5-3-4-6-18(16)25-2/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyKJIIRPQEUMUVKG-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.00
Rot. Bonds6

About N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide

N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide (PubChem CID 16867217) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide
PubChem CID16867217
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide
SMILESCOc1ccc(-c2cc(CNC(=O)c3ccccc3SC)no2)cc1
InChIInChI=1S/C19H18N2O3S/c1-23-15-9-7-13(8-10-15)17-11-14(21-24-17)12-20-19(22)16-5-3-4-6-18(16)25-2/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyKJIIRPQEUMUVKG-UHFFFAOYSA-N
XLogP4.00
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide
CID 27370196
2,4-dimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867492
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-ethylsulfanylbenzamide
CID 16867345
4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605
2-methyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866597
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-fluorobenzamide
CID 16867253
4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866986
2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 16870041
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-naphthalen-2-yloxyacetamide
CID 16867168
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide
CID 16866858
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide
CID 16866881
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2,3-dimethoxybenzamide
CID 16866739

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide (CID 16867217) is N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide is COc1ccc(-c2cc(CNC(=O)c3ccccc3SC)no2)cc1.
What is the InChIKey of N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide?
The InChIKey is KJIIRPQEUMUVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-23-15-9-7-13(8-10-15)17-11-14(21-24-17)12-20-19(22)16-5-3-4-6-18(16)25-2/h3-11H,12H2,1-2H3,(H,20,22).
What are the key properties of N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide?
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide has a molecular weight of 354.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 16867217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).