[3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine

C11H11ClN2O — CID 82127944

IUPAC[3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
SMILESCc1onc(-c2cccc(Cl)c2)c1CN
InChIInChI=1S/C11H11ClN2O/c1-7-10(6-13)11(14-15-7)8-3-2-4-9(12)5-8/h2-5H,6,13H2,1H3
InChIKeyCADMCDCPBFZYME-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.76
Rot. Bonds2

About [3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine

[3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine (PubChem CID 82127944) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is [3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
PubChem CID82127944
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name[3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
SMILESCc1onc(-c2cccc(Cl)c2)c1CN
InChIInChI=1S/C11H11ClN2O/c1-7-10(6-13)11(14-15-7)8-3-2-4-9(12)5-8/h2-5H,6,13H2,1H3
InChIKeyCADMCDCPBFZYME-UHFFFAOYSA-N
XLogP2.76
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(3-chlorophenyl)-5-methyl-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-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82371436
N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide
CID 82371371
3-(3-chlorophenyl)-5-methyl-4-propan-2-yl-1,2-oxazole
CID 126625276
[5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride
CID 82019192
[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82128528
[3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82127036
4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
CID 2776147
3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805509
3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 81316062
[2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine
CID 82286802
4-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-amine
CID 63213917
4-(3-chlorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine
CID 43335614

Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine?
The IUPAC name of [3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine (CID 82127944) is [3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for [3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for [3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine is Cc1onc(-c2cccc(Cl)c2)c1CN.
What is the InChIKey of [3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine?
The InChIKey is CADMCDCPBFZYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-7-10(6-13)11(14-15-7)8-3-2-4-9(12)5-8/h2-5H,6,13H2,1H3.
What are the key properties of [3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine?
[3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine has a molecular weight of 222.68 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 82127944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).