3-(3-chloro-5-fluoro-4-methylphenyl)-1,2-oxazol-5-amine

C10H8ClFN2O — CID 117325893

IUPAC3-(3-chloro-5-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1c(F)cc(-c2cc(N)on2)cc1Cl
InChIInChI=1S/C10H8ClFN2O/c1-5-7(11)2-6(3-8(5)12)9-4-10(13)15-14-9/h2-4H,13H2,1H3
InChIKeyIKJIOODUHXPURK-UHFFFAOYSA-N
MW226.64 g/mol
LogP3.02
Rot. Bonds1

About 3-(3-chloro-5-fluoro-4-methylphenyl)-1,2-oxazol-5-amine

3-(3-chloro-5-fluoro-4-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 117325893) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 3-(3-chloro-5-fluoro-4-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-5-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
PubChem CID117325893
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name3-(3-chloro-5-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1c(F)cc(-c2cc(N)on2)cc1Cl
InChIInChI=1S/C10H8ClFN2O/c1-5-7(11)2-6(3-8(5)12)9-4-10(13)15-14-9/h2-4H,13H2,1H3
InChIKeyIKJIOODUHXPURK-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

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Related Compounds

2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol
CID 136952346
3-(4-chloro-3-fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117358441
3-(5-chloro-2-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325886
3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-1,2-oxazol-5-amine
CID 117394781
3-(3-bromo-5-fluorophenyl)-1,2-oxazol-5-amine
CID 43248459
3-(3-chloro-2-fluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117325884
3-(3-chloro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117345808
3-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine
CID 117471047
3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117434460
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117358433
3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82476360
3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117317570

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluoro-4-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-chloro-5-fluoro-4-methylphenyl)-1,2-oxazol-5-amine (CID 117325893) is 3-(3-chloro-5-fluoro-4-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-chloro-5-fluoro-4-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-chloro-5-fluoro-4-methylphenyl)-1,2-oxazol-5-amine is Cc1c(F)cc(-c2cc(N)on2)cc1Cl.
What is the InChIKey of 3-(3-chloro-5-fluoro-4-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is IKJIOODUHXPURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c1-5-7(11)2-6(3-8(5)12)9-4-10(13)15-14-9/h2-4H,13H2,1H3.
What are the key properties of 3-(3-chloro-5-fluoro-4-methylphenyl)-1,2-oxazol-5-amine?
3-(3-chloro-5-fluoro-4-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-5-fluoro-4-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117325893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).