4-(2,4-difluorophenyl)-3-(3-fluoro-4-pyridinyl)-1,2-oxazol-5-amine

C14H8F3N3O — CID 64949320

IUPAC4-(2,4-difluorophenyl)-3-(3-fluoro-4-pyridinyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccncc2F)c1-c1ccc(F)cc1F
InChIInChI=1S/C14H8F3N3O/c15-7-1-2-8(10(16)5-7)12-13(20-21-14(12)18)9-3-4-19-6-11(9)17/h1-6H,18H2
InChIKeyPGBMEVYVLZEJTM-UHFFFAOYSA-N
MW291.23 g/mol
LogP3.40
Rot. Bonds2

About 4-(2,4-difluorophenyl)-3-(3-fluoro-4-pyridinyl)-1,2-oxazol-5-amine

4-(2,4-difluorophenyl)-3-(3-fluoro-4-pyridinyl)-1,2-oxazol-5-amine (PubChem CID 64949320) has the molecular formula C14H8F3N3O and a molecular weight of 291.23 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-3-(3-fluoro-4-pyridinyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-3-(3-fluoro-4-pyridinyl)-1,2-oxazol-5-amine
PubChem CID64949320
Molecular FormulaC14H8F3N3O
Molecular Weight291.23 g/mol
Exact Mass291.06
IUPAC Name4-(2,4-difluorophenyl)-3-(3-fluoro-4-pyridinyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccncc2F)c1-c1ccc(F)cc1F
InChIInChI=1S/C14H8F3N3O/c15-7-1-2-8(10(16)5-7)12-13(20-21-14(12)18)9-3-4-19-6-11(9)17/h1-6H,18H2
InChIKeyPGBMEVYVLZEJTM-UHFFFAOYSA-N
XLogP3.40
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 64559713
4-(2,4-difluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670796
3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62830128
4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119587
3-(4-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80522997
4-(2,4-difluorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine
CID 66201497
3-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-5-amine
CID 103402516
4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-amine
CID 43335828
4-pyridin-4-yl-3-(2,3,4-trifluorophenyl)-1,2-oxazol-5-amine
CID 57417751
3-(4-chloro-2,5-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 82772621
3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335730
3-(2-chloro-4-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43158039

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-3-(3-fluoro-4-pyridinyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-3-(3-fluoro-4-pyridinyl)-1,2-oxazol-5-amine (CID 64949320) is 4-(2,4-difluorophenyl)-3-(3-fluoro-4-pyridinyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-3-(3-fluoro-4-pyridinyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-3-(3-fluoro-4-pyridinyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccncc2F)c1-c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-3-(3-fluoro-4-pyridinyl)-1,2-oxazol-5-amine?
The InChIKey is PGBMEVYVLZEJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O/c15-7-1-2-8(10(16)5-7)12-13(20-21-14(12)18)9-3-4-19-6-11(9)17/h1-6H,18H2.
What are the key properties of 4-(2,4-difluorophenyl)-3-(3-fluoro-4-pyridinyl)-1,2-oxazol-5-amine?
4-(2,4-difluorophenyl)-3-(3-fluoro-4-pyridinyl)-1,2-oxazol-5-amine has a molecular weight of 291.23 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-3-(3-fluoro-4-pyridinyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 64949320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).