[5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]methanamine

C11H12N2O3S — CID 65239749

IUPAC[5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]methanamine
SMILESCS(=O)(=O)c1ccc(-c2oncc2CN)cc1
InChIInChI=1S/C11H12N2O3S/c1-17(14,15)10-4-2-8(3-5-10)11-9(6-12)7-13-16-11/h2-5,7H,6,12H2,1H3
InChIKeySQYYKBXNVCEDTQ-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.20
Rot. Bonds3

About [5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]methanamine

[5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]methanamine (PubChem CID 65239749) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is [5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]methanamine
PubChem CID65239749
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC Name[5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]methanamine
SMILESCS(=O)(=O)c1ccc(-c2oncc2CN)cc1
InChIInChI=1S/C11H12N2O3S/c1-17(14,15)10-4-2-8(3-5-10)11-9(6-12)7-13-16-11/h2-5,7H,6,12H2,1H3
InChIKeySQYYKBXNVCEDTQ-UHFFFAOYSA-N
XLogP1.20
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]methanamine 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

3-[5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]propan-1-ol
CID 22221077
5-(4-methylsulfonylphenyl)-1,2-oxazole-4-carboxylic acid
CID 80502864
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82290574
[1-methyl-3-(4-methylsulfonylphenyl)pyrazol-4-yl]methanamine
CID 79485117
N-methyl-1-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine
CID 65239812
N-[4-(diethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]propanamide
CID 87890022
[4-(4-methylsulfonylphenyl)thiophen-2-yl]methanamine
CID 174311538
[6-methyl-2-(4-methylsulfonylphenyl)sulfanyl-3-pyridinyl]methanamine
CID 63238136
[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methanamine
CID 81470577
N-[[5-(4-ethylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine
CID 65239931
N-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]ethanamine
CID 65239703
[2-[(4-methylsulfonylphenoxy)methyl]furan-3-yl]methanamine
CID 62486299

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]methanamine?
The IUPAC name of [5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]methanamine (CID 65239749) is [5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]methanamine is CS(=O)(=O)c1ccc(-c2oncc2CN)cc1.
What is the InChIKey of [5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]methanamine?
The InChIKey is SQYYKBXNVCEDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-17(14,15)10-4-2-8(3-5-10)11-9(6-12)7-13-16-11/h2-5,7H,6,12H2,1H3.
What are the key properties of [5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]methanamine?
[5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]methanamine has a molecular weight of 252.30 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 65239749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).