[5-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine

C9H9ClN2OS — CID 103407154

IUPAC[5-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine
SMILESCc1csc(-c2ocnc2CN)c1Cl
InChIInChI=1S/C9H9ClN2OS/c1-5-3-14-9(7(5)10)8-6(2-11)12-4-13-8/h3-4H,2,11H2,1H3
InChIKeyXRUWJJYZWJRMTI-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.82
Rot. Bonds2

About [5-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine

[5-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine (PubChem CID 103407154) has the molecular formula C9H9ClN2OS and a molecular weight of 228.70 g/mol. Its IUPAC name is [5-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine
PubChem CID103407154
Molecular FormulaC9H9ClN2OS
Molecular Weight228.70 g/mol
Exact Mass228.01
IUPAC Name[5-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine
SMILESCc1csc(-c2ocnc2CN)c1Cl
InChIInChI=1S/C9H9ClN2OS/c1-5-3-14-9(7(5)10)8-6(2-11)12-4-13-8/h3-4H,2,11H2,1H3
InChIKeyXRUWJJYZWJRMTI-UHFFFAOYSA-N
XLogP2.82
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(3-chloro-4-methylthiophen-2-yl)-1,3-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

[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-4-yl]methanamine
CID 79139626
[5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 79139840
[5-(3,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 79139040
5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2-oxazol-3-amine
CID 103406991
[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methanamine
CID 79139044
4-(chloromethyl)-2-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazole
CID 103404233
[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 79139636
5-(3-chloro-4-methylthiophen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 103407009
[5-(2-chloro-6-fluorophenyl)-1,3-oxazol-4-yl]methanamine
CID 79139055
[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 79139844
[5-(2,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 79140024
N-[[5-(3-chlorothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 80642061

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [5-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine (CID 103407154) is [5-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine is Cc1csc(-c2ocnc2CN)c1Cl.
What is the InChIKey of [5-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is XRUWJJYZWJRMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2OS/c1-5-3-14-9(7(5)10)8-6(2-11)12-4-13-8/h3-4H,2,11H2,1H3.
What are the key properties of [5-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine?
[5-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 228.70 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 103407154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).