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

C10H8ClFN2O — CID 117325905

IUPAC4-(5-chloro-4-fluoro-2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1cc(F)c(Cl)cc1-c1cnoc1N
InChIInChI=1S/C10H8ClFN2O/c1-5-2-9(12)8(11)3-6(5)7-4-14-15-10(7)13/h2-4H,13H2,1H3
InChIKeyBEAWJYOIFFICBX-UHFFFAOYSA-N
MW226.64 g/mol
LogP3.02
Rot. Bonds1

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

4-(5-chloro-4-fluoro-2-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 117325905) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 4-(5-chloro-4-fluoro-2-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(5-chloro-4-fluoro-2-methylphenyl)-1,2-oxazol-5-amine
PubChem CID117325905
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name4-(5-chloro-4-fluoro-2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1cc(F)c(Cl)cc1-c1cnoc1N
InChIInChI=1S/C10H8ClFN2O/c1-5-2-9(12)8(11)3-6(5)7-4-14-15-10(7)13/h2-4H,13H2,1H3
InChIKeyBEAWJYOIFFICBX-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

4-(3-chloro-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117353932
4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine
CID 117333106
4-(2,5-dichloro-3-fluorophenyl)-1,2-oxazol-5-amine
CID 117369363
4-(2,3-difluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117299828
4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117299829
4-(2,3,4,5-tetramethylphenyl)-1,2-oxazol-5-amine
CID 117308300
4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine
CID 83548488
4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine
CID 115112267
4-(2-bromo-4,5-difluorophenyl)-1,2-oxazol-5-amine
CID 117439375
4-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazol-5-amine
CID 117433533
4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389663
4-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117393713

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-4-fluoro-2-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(5-chloro-4-fluoro-2-methylphenyl)-1,2-oxazol-5-amine (CID 117325905) is 4-(5-chloro-4-fluoro-2-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(5-chloro-4-fluoro-2-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(5-chloro-4-fluoro-2-methylphenyl)-1,2-oxazol-5-amine is Cc1cc(F)c(Cl)cc1-c1cnoc1N.
What is the InChIKey of 4-(5-chloro-4-fluoro-2-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is BEAWJYOIFFICBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c1-5-2-9(12)8(11)3-6(5)7-4-14-15-10(7)13/h2-4H,13H2,1H3.
What are the key properties of 4-(5-chloro-4-fluoro-2-methylphenyl)-1,2-oxazol-5-amine?
4-(5-chloro-4-fluoro-2-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 4-(5-chloro-4-fluoro-2-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117325905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).