4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide

C19H18N2O4S — CID 20917014

IUPAC4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nc(CS(=O)(=O)c3ccccc3)c(C)o2)cc1
InChIInChI=1S/C19H18N2O4S/c1-13-17(12-26(23,24)16-6-4-3-5-7-16)21-19(25-13)15-10-8-14(9-11-15)18(22)20-2/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyOSQYHZRBOHCBNS-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.98
Rot. Bonds5

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

4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide (PubChem CID 20917014) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
PubChem CID20917014
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nc(CS(=O)(=O)c3ccccc3)c(C)o2)cc1
InChIInChI=1S/C19H18N2O4S/c1-13-17(12-26(23,24)16-6-4-3-5-7-16)21-19(25-13)15-10-8-14(9-11-15)18(22)20-2/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyOSQYHZRBOHCBNS-UHFFFAOYSA-N
XLogP2.98
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(4-chloro-2-methylphenyl)benzamide
CID 46277766
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 20917018
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 20917007
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 46277792
[4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 20917031
N-methyl-3-[[[4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzoyl]amino]methyl]pyridine-2-carboxamide
CID 71471733
N-(3,5-dimethylphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277752
N-benzyl-4-[4-[(3-methoxyphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide
CID 71471936
N-benzyl-4-[4-[(3-cyanophenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide
CID 71471934
N-(4-methoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277742
N-[3-(diethylamino)propyl]-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
CID 20916943
N-methyl-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide
CID 22577703

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide?
The IUPAC name of 4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide (CID 20917014) is 4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide?
The canonical SMILES for 4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2nc(CS(=O)(=O)c3ccccc3)c(C)o2)cc1.
What is the InChIKey of 4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide?
The InChIKey is OSQYHZRBOHCBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-13-17(12-26(23,24)16-6-4-3-5-7-16)21-19(25-13)15-10-8-14(9-11-15)18(22)20-2/h3-11H,12H2,1-2H3,(H,20,22).
What are the key properties of 4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide?
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide has a molecular weight of 370.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide is sourced from PubChem (CID 20917014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).