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

C15H12FN3O — CID 57417818

IUPAC3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2ccncc2)ccc1F
InChIInChI=1S/C15H12FN3O/c1-9-8-11(2-3-12(9)16)14-13(15(17)20-19-14)10-4-6-18-7-5-10/h2-8H,17H2,1H3
InChIKeyKPFHJGVPTGHUJD-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.43
Rot. Bonds2

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

3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine (PubChem CID 57417818) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
PubChem CID57417818
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2ccncc2)ccc1F
InChIInChI=1S/C15H12FN3O/c1-9-8-11(2-3-12(9)16)14-13(15(17)20-19-14)10-4-6-18-7-5-10/h2-8H,17H2,1H3
InChIKeyKPFHJGVPTGHUJD-UHFFFAOYSA-N
XLogP3.43
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Pyridin-3-ylisoxazol-5-YL)methanamine
CID 11993865
4-(5-Methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine
CID 2745721
N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide
CID 11625524
3-(4-Fluorophenyl)-4-pyridin-4-yl-1,2-oxazole
CID 9816180
5-[5-(3-Carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-2-carboximidamide;dihydrochloride
CID 90665126
6-Amino-3-tert-butyl-4-pyridin-3-yl-4,7-dihydroisoxazolo[5,4-b]pyridine-5-carbonitrile
CID 3236515
4-Pyridin-2-ylisoxazol-5-amine
CID 2806085
N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-3-(pyridin-4-yl)isoxazol-5-yl)isobutyramide
CID 10140239
N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-3-isopropylisoxazol-5-yl)isonicotinamide
CID 10227245
2-(4-(5-Amino-3-(pyridin-4-yl)isoxazol-4-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10272495
4-[3-(4-Fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine
CID 16115351
5-methyl-6-phenyl-3-(pyridin-3-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579325

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine (CID 57417818) is 3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine is Cc1cc(-c2noc(N)c2-c2ccncc2)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The InChIKey is KPFHJGVPTGHUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-9-8-11(2-3-12(9)16)14-13(15(17)20-19-14)10-4-6-18-7-5-10/h2-8H,17H2,1H3.
What are the key properties of 3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine has a molecular weight of 269.28 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 57417818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).