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

C10H8F2N2O — CID 117299829

IUPAC4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2cnoc2N)cc(F)c1F
InChIInChI=1S/C10H8F2N2O/c1-5-2-6(3-8(11)9(5)12)7-4-14-15-10(7)13/h2-4H,13H2,1H3
InChIKeyJKAOXMLVICPCIE-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.51
Rot. Bonds1

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

4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 117299829) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine
PubChem CID117299829
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2cnoc2N)cc(F)c1F
InChIInChI=1S/C10H8F2N2O/c1-5-2-6(3-8(11)9(5)12)7-4-14-15-10(7)13/h2-4H,13H2,1H3
InChIKeyJKAOXMLVICPCIE-UHFFFAOYSA-N
XLogP2.51
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 115112194
4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117324756
4-(2,3-difluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117299828
4-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-1,2-oxazol-5-amine
CID 117364560
4-[3-(dimethylamino)-4,5-dimethylphenyl]-1,2-oxazol-5-amine
CID 115112238
4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine
CID 115112267
4-(5-chloro-4-fluoro-2-methylphenyl)-1,2-oxazol-5-amine
CID 117325905
4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine
CID 117344229
4-(3-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117314027
4-(5-ethyl-2,3-difluorophenyl)-1,2-oxazol-5-amine
CID 117321322
4-(3-chloro-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117353932
4-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117458759

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine (CID 117299829) is 4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine is Cc1cc(-c2cnoc2N)cc(F)c1F.
What is the InChIKey of 4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is JKAOXMLVICPCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c1-5-2-6(3-8(11)9(5)12)7-4-14-15-10(7)13/h2-4H,13H2,1H3.
What are the key properties of 4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine?
4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 210.18 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117299829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).