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

C9H8F4N4O — CID 71055415

IUPAC[2-[4-fluoro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine
SMILESCn1nc(C(F)(F)F)c(F)c1-c1nc(CN)co1
InChIInChI=1S/C9H8F4N4O/c1-17-6(8-15-4(2-14)3-18-8)5(10)7(16-17)9(11,12)13/h3H,2,14H2,1H3
InChIKeyCMRAKZDWVUUZMZ-UHFFFAOYSA-N
MW264.18 g/mol
LogP1.69
Rot. Bonds2

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

[2-[4-fluoro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine (PubChem CID 71055415) has the molecular formula C9H8F4N4O and a molecular weight of 264.18 g/mol. Its IUPAC name is [2-[4-fluoro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[4-fluoro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine
PubChem CID71055415
Molecular FormulaC9H8F4N4O
Molecular Weight264.18 g/mol
Exact Mass264.06
IUPAC Name[2-[4-fluoro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine
SMILESCn1nc(C(F)(F)F)c(F)c1-c1nc(CN)co1
InChIInChI=1S/C9H8F4N4O/c1-17-6(8-15-4(2-14)3-18-8)5(10)7(16-17)9(11,12)13/h3H,2,14H2,1H3
InChIKeyCMRAKZDWVUUZMZ-UHFFFAOYSA-N
XLogP1.69
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-fluoro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-[4-fluoro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine (CID 71055415) is [2-[4-fluoro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-[4-fluoro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-[4-fluoro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine is Cn1nc(C(F)(F)F)c(F)c1-c1nc(CN)co1.
What is the InChIKey of [2-[4-fluoro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine?
The InChIKey is CMRAKZDWVUUZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N4O/c1-17-6(8-15-4(2-14)3-18-8)5(10)7(16-17)9(11,12)13/h3H,2,14H2,1H3.
What are the key properties of [2-[4-fluoro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine?
[2-[4-fluoro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine has a molecular weight of 264.18 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-fluoro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 71055415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).