1-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-methylethanamine

C12H13ClN2O — CID 115084331

IUPAC1-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1coc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H13ClN2O/c1-8(14-2)11-7-16-12(15-11)9-4-3-5-10(13)6-9/h3-8,14H,1-2H3
InChIKeyRUFMHAMAKFJCQS-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.28
Rot. Bonds3

About 1-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-methylethanamine

1-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-methylethanamine (PubChem CID 115084331) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-methylethanamine
PubChem CID115084331
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name1-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1coc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H13ClN2O/c1-8(14-2)11-7-16-12(15-11)9-4-3-5-10(13)6-9/h3-8,14H,1-2H3
InChIKeyRUFMHAMAKFJCQS-UHFFFAOYSA-N
XLogP3.28
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-methylethanamine 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

2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol
CID 115772256
2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole
CID 115049454
1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine
CID 115084321
1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-4-amine
CID 119923250
N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylethanamine
CID 110652267
N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288193
1-[2-(3-chlorophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
CID 115087175
1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]propan-2-amine
CID 84700432
3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115084368
1-[1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethanamine
CID 119920593
5-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 33347592
1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine
CID 66230660

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-methylethanamine (CID 115084331) is 1-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-methylethanamine is CNC(C)c1coc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-methylethanamine?
The InChIKey is RUFMHAMAKFJCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-8(14-2)11-7-16-12(15-11)9-4-3-5-10(13)6-9/h3-8,14H,1-2H3.
What are the key properties of 1-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-methylethanamine?
1-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-methylethanamine has a molecular weight of 236.70 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 115084331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).