3-(3-chloro-2-fluoro-5-methylphenyl)-1,2-oxazol-5-amine

C10H8ClFN2O — CID 117325884

IUPAC3-(3-chloro-2-fluoro-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1cc(Cl)c(F)c(-c2cc(N)on2)c1
InChIInChI=1S/C10H8ClFN2O/c1-5-2-6(10(12)7(11)3-5)8-4-9(13)15-14-8/h2-4H,13H2,1H3
InChIKeyDPWGZACYXURTQT-UHFFFAOYSA-N
MW226.64 g/mol
LogP3.02
Rot. Bonds1

About 3-(3-chloro-2-fluoro-5-methylphenyl)-1,2-oxazol-5-amine

3-(3-chloro-2-fluoro-5-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 117325884) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 3-(3-chloro-2-fluoro-5-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-2-fluoro-5-methylphenyl)-1,2-oxazol-5-amine
PubChem CID117325884
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name3-(3-chloro-2-fluoro-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1cc(Cl)c(F)c(-c2cc(N)on2)c1
InChIInChI=1S/C10H8ClFN2O/c1-5-2-6(10(12)7(11)3-5)8-4-9(13)15-14-8/h2-4H,13H2,1H3
InChIKeyDPWGZACYXURTQT-UHFFFAOYSA-N
XLogP3.02
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-chloro-2-fluoro-5-methylphenyl)-1,2-oxazol-5-amine 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-(2-fluoro-3,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 117294555
3-(5-chloro-2-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325886
3-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325881
2-(5-amino-1,2-oxazol-3-yl)-6-fluoro-4-methylphenol
CID 136998714
3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117434268
3-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine
CID 117471047
6-(5-amino-1,2-oxazol-3-yl)-2-fluoro-3-methylphenol
CID 136998707
3-(3-chloro-5-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325893
3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117454853
3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine
CID 43608008
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol
CID 117356932
2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol
CID 136952346

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluoro-5-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-chloro-2-fluoro-5-methylphenyl)-1,2-oxazol-5-amine (CID 117325884) is 3-(3-chloro-2-fluoro-5-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-chloro-2-fluoro-5-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-chloro-2-fluoro-5-methylphenyl)-1,2-oxazol-5-amine is Cc1cc(Cl)c(F)c(-c2cc(N)on2)c1.
What is the InChIKey of 3-(3-chloro-2-fluoro-5-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is DPWGZACYXURTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c1-5-2-6(10(12)7(11)3-5)8-4-9(13)15-14-8/h2-4H,13H2,1H3.
What are the key properties of 3-(3-chloro-2-fluoro-5-methylphenyl)-1,2-oxazol-5-amine?
3-(3-chloro-2-fluoro-5-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 226.64 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluoro-5-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117325884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).