4-[4-(benzenesulfinylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide

C23H24N2O4S — CID 46277741

IUPAC4-[4-(benzenesulfinylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1oc(-c2ccc(C(=O)NCC3CCCO3)cc2)nc1CS(=O)c1ccccc1
InChIInChI=1S/C23H24N2O4S/c1-16-21(15-30(27)20-7-3-2-4-8-20)25-23(29-16)18-11-9-17(10-12-18)22(26)24-14-19-6-5-13-28-19/h2-4,7-12,19H,5-6,13-15H2,1H3,(H,24,26)
InChIKeyQUCFDXLQQVAJHQ-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.87
Rot. Bonds7

About 4-[4-(benzenesulfinylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide

4-[4-(benzenesulfinylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 46277741) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 4-[4-(benzenesulfinylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[4-(benzenesulfinylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID46277741
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name4-[4-(benzenesulfinylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1oc(-c2ccc(C(=O)NCC3CCCO3)cc2)nc1CS(=O)c1ccccc1
InChIInChI=1S/C23H24N2O4S/c1-16-21(15-30(27)20-7-3-2-4-8-20)25-23(29-16)18-11-9-17(10-12-18)22(26)24-14-19-6-5-13-28-19/h2-4,7-12,19H,5-6,13-15H2,1H3,(H,24,26)
InChIKeyQUCFDXLQQVAJHQ-UHFFFAOYSA-N
XLogP3.87
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(benzenesulfinylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-methyl-4-[[(R)-(4-methylphenyl)sulfinyl]methyl]-1,3-oxazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92743124
4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 50800086
4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92690760
N-benzyl-4-[5-methyl-4-[[(S)-(4-methylphenyl)sulfinyl]methyl]-1,3-oxazol-2-yl]benzamide
CID 92706258
N-(oxolan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829235
2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(oxolan-2-ylmethyl)acetamide
CID 5307709
4-[5-methyl-4-[(4-methylphenyl)sulfinylmethyl]-1,3-oxazol-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 20916919
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-[5-methyl-4-[[(R)-(4-methylphenyl)sulfinyl]methyl]-1,3-oxazol-2-yl]benzamide
CID 92764994
2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(oxolan-2-ylmethyl)acetamide
CID 20860705
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfinylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[4-(benzenesulfinylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide (CID 46277741) is 4-[4-(benzenesulfinylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[4-(benzenesulfinylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[4-(benzenesulfinylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide is Cc1oc(-c2ccc(C(=O)NCC3CCCO3)cc2)nc1CS(=O)c1ccccc1.
What is the InChIKey of 4-[4-(benzenesulfinylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is QUCFDXLQQVAJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-16-21(15-30(27)20-7-3-2-4-8-20)25-23(29-16)18-11-9-17(10-12-18)22(26)24-14-19-6-5-13-28-19/h2-4,7-12,19H,5-6,13-15H2,1H3,(H,24,26).
What are the key properties of 4-[4-(benzenesulfinylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide?
4-[4-(benzenesulfinylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 424.52 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzenesulfinylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 46277741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).