[5-(4-fluoro-5-methyl-1H-pyrazol-3-yl)-1,3-oxazol-2-yl]methanamine

C8H9FN4O — CID 89147301

IUPAC[5-(4-fluoro-5-methyl-1H-pyrazol-3-yl)-1,3-oxazol-2-yl]methanamine
SMILESCc1[nH]nc(-c2cnc(CN)o2)c1F
InChIInChI=1S/C8H9FN4O/c1-4-7(9)8(13-12-4)5-3-11-6(2-10)14-5/h3H,2,10H2,1H3,(H,12,13)
InChIKeyGQPKXQRQBZCTOZ-UHFFFAOYSA-N
MW196.19 g/mol
LogP0.97
Rot. Bonds2

About [5-(4-fluoro-5-methyl-1H-pyrazol-3-yl)-1,3-oxazol-2-yl]methanamine

[5-(4-fluoro-5-methyl-1H-pyrazol-3-yl)-1,3-oxazol-2-yl]methanamine (PubChem CID 89147301) has the molecular formula C8H9FN4O and a molecular weight of 196.19 g/mol. Its IUPAC name is [5-(4-fluoro-5-methyl-1H-pyrazol-3-yl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-fluoro-5-methyl-1H-pyrazol-3-yl)-1,3-oxazol-2-yl]methanamine
PubChem CID89147301
Molecular FormulaC8H9FN4O
Molecular Weight196.19 g/mol
Exact Mass196.08
IUPAC Name[5-(4-fluoro-5-methyl-1H-pyrazol-3-yl)-1,3-oxazol-2-yl]methanamine
SMILESCc1[nH]nc(-c2cnc(CN)o2)c1F
InChIInChI=1S/C8H9FN4O/c1-4-7(9)8(13-12-4)5-3-11-6(2-10)14-5/h3H,2,10H2,1H3,(H,12,13)
InChIKeyGQPKXQRQBZCTOZ-UHFFFAOYSA-N
XLogP0.97
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluoro-5-methyl-1H-pyrazol-3-yl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(4-fluoro-5-methyl-1H-pyrazol-3-yl)-1,3-oxazol-2-yl]methanamine (CID 89147301) is [5-(4-fluoro-5-methyl-1H-pyrazol-3-yl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(4-fluoro-5-methyl-1H-pyrazol-3-yl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(4-fluoro-5-methyl-1H-pyrazol-3-yl)-1,3-oxazol-2-yl]methanamine is Cc1[nH]nc(-c2cnc(CN)o2)c1F.
What is the InChIKey of [5-(4-fluoro-5-methyl-1H-pyrazol-3-yl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is GQPKXQRQBZCTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4O/c1-4-7(9)8(13-12-4)5-3-11-6(2-10)14-5/h3H,2,10H2,1H3,(H,12,13).
What are the key properties of [5-(4-fluoro-5-methyl-1H-pyrazol-3-yl)-1,3-oxazol-2-yl]methanamine?
[5-(4-fluoro-5-methyl-1H-pyrazol-3-yl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 196.19 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluoro-5-methyl-1H-pyrazol-3-yl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 89147301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).