1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylpyrazol-3-amine

C14H13FN4O — CID 56669134

IUPAC1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H13FN4O/c1-9-6-13(16)18-19(9)7-12-8-20-14(17-12)10-2-4-11(15)5-3-10/h2-6,8H,7H2,1H3,(H2,16,18)
InChIKeyXLBHXIIZEOQAFP-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.62
Rot. Bonds3

About 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylpyrazol-3-amine

1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylpyrazol-3-amine (PubChem CID 56669134) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylpyrazol-3-amine
PubChem CID56669134
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H13FN4O/c1-9-6-13(16)18-19(9)7-12-8-20-14(17-12)10-2-4-11(15)5-3-10/h2-6,8H,7H2,1H3,(H2,16,18)
InChIKeyXLBHXIIZEOQAFP-UHFFFAOYSA-N
XLogP2.62
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylpyrazol-3-amine (CID 56669134) is 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylpyrazol-3-amine is Cc1cc(N)nn1Cc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylpyrazol-3-amine?
The InChIKey is XLBHXIIZEOQAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-9-6-13(16)18-19(9)7-12-8-20-14(17-12)10-2-4-11(15)5-3-10/h2-6,8H,7H2,1H3,(H2,16,18).
What are the key properties of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylpyrazol-3-amine?
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylpyrazol-3-amine has a molecular weight of 272.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 56669134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).