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

C14H8F3N3O — CID 104643350

IUPAC4-(2,4-difluorophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(F)cn2)c1-c1ccc(F)cc1F
InChIInChI=1S/C14H8F3N3O/c15-7-1-3-9(10(17)5-7)12-13(21-20-14(12)18)11-4-2-8(16)6-19-11/h1-6H,(H2,18,20)
InChIKeySRVFIAVRULGANN-UHFFFAOYSA-N
MW291.23 g/mol
LogP3.40
Rot. Bonds2

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

4-(2,4-difluorophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine (PubChem CID 104643350) has the molecular formula C14H8F3N3O and a molecular weight of 291.23 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine
PubChem CID104643350
Molecular FormulaC14H8F3N3O
Molecular Weight291.23 g/mol
Exact Mass291.06
IUPAC Name4-(2,4-difluorophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(F)cn2)c1-c1ccc(F)cc1F
InChIInChI=1S/C14H8F3N3O/c15-7-1-3-9(10(17)5-7)12-13(21-20-14(12)18)11-4-2-8(16)6-19-11/h1-6H,(H2,18,20)
InChIKeySRVFIAVRULGANN-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)-5-phenyl-1,2-oxazol-3-amine
CID 66204007
5-(5-fluoro-2-pyridinyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 104643337
4-(2,4-difluorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine
CID 66201497
4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
CID 66201692
4-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazol-3-amine
CID 66201306
4-(2,4-difluorophenyl)-5-(2-iodophenyl)-1,2-oxazol-3-amine
CID 66202082
5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 66202274
4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66201498
2-(2,4-difluorophenyl)-5-fluoropyridine
CID 130334925
4-(2,4-difluorophenyl)-5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66202081
5-(2,4-difluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199002
5-tert-butyl-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 66203816

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine (CID 104643350) is 4-(2,4-difluorophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine is Nc1noc(-c2ccc(F)cn2)c1-c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine?
The InChIKey is SRVFIAVRULGANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O/c15-7-1-3-9(10(17)5-7)12-13(21-20-14(12)18)11-4-2-8(16)6-19-11/h1-6H,(H2,18,20).
What are the key properties of 4-(2,4-difluorophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine?
4-(2,4-difluorophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-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)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 104643350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).