4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine

C13H10F2N4O — CID 103119587

IUPAC4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
SMILESCn1ccc(-c2noc(N)c2-c2ccc(F)cc2F)n1
InChIInChI=1S/C13H10F2N4O/c1-19-5-4-10(17-19)12-11(13(16)20-18-12)8-3-2-7(14)6-9(8)15/h2-6H,16H2,1H3
InChIKeyPSQCWDIHEJFSNI-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.60
Rot. Bonds2

About 4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine

4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine (PubChem CID 103119587) has the molecular formula C13H10F2N4O and a molecular weight of 276.25 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
PubChem CID103119587
Molecular FormulaC13H10F2N4O
Molecular Weight276.25 g/mol
Exact Mass276.08
IUPAC Name4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
SMILESCn1ccc(-c2noc(N)c2-c2ccc(F)cc2F)n1
InChIInChI=1S/C13H10F2N4O/c1-19-5-4-10(17-19)12-11(13(16)20-18-12)8-3-2-7(14)6-9(8)15/h2-6H,16H2,1H3
InChIKeyPSQCWDIHEJFSNI-UHFFFAOYSA-N
XLogP2.60
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119586
4-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119567
4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 64559713
4-(2,4-difluorophenyl)-3-(3-fluoro-4-pyridinyl)-1,2-oxazol-5-amine
CID 64949320
3-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-5-amine
CID 103402516
4-(2,4-difluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670796
3-(1-methylpyrazol-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 103119559
4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119565
3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62830128
3-(4-fluoro-2-methylphenyl)-1-methylpyrazole
CID 140621702
3-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 102801816
3-(2-chlorofuran-3-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 106687623

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine (CID 103119587) is 4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine is Cn1ccc(-c2noc(N)c2-c2ccc(F)cc2F)n1.
What is the InChIKey of 4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine?
The InChIKey is PSQCWDIHEJFSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4O/c1-19-5-4-10(17-19)12-11(13(16)20-18-12)8-3-2-7(14)6-9(8)15/h2-6H,16H2,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine?
4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine has a molecular weight of 276.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 103119587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).