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

C10H10F4N4O — CID 70851815

IUPAC[2-[2-ethyl-4-fluoro-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine
SMILESCCn1nc(C(F)(F)F)c(F)c1-c1nc(CN)co1
InChIInChI=1S/C10H10F4N4O/c1-2-18-7(9-16-5(3-15)4-19-9)6(11)8(17-18)10(12,13)14/h4H,2-3,15H2,1H3
InChIKeyYCHKQFSVONYEGR-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.17
Rot. Bonds3

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

[2-[2-ethyl-4-fluoro-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine (PubChem CID 70851815) has the molecular formula C10H10F4N4O and a molecular weight of 278.21 g/mol. Its IUPAC name is [2-[2-ethyl-4-fluoro-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[2-ethyl-4-fluoro-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine
PubChem CID70851815
Molecular FormulaC10H10F4N4O
Molecular Weight278.21 g/mol
Exact Mass278.08
IUPAC Name[2-[2-ethyl-4-fluoro-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine
SMILESCCn1nc(C(F)(F)F)c(F)c1-c1nc(CN)co1
InChIInChI=1S/C10H10F4N4O/c1-2-18-7(9-16-5(3-15)4-19-9)6(11)8(17-18)10(12,13)14/h4H,2-3,15H2,1H3
InChIKeyYCHKQFSVONYEGR-UHFFFAOYSA-N
XLogP2.17
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[2-ethyl-4-fluoro-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-ethyl-4-fluoro-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-[2-ethyl-4-fluoro-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine (CID 70851815) is [2-[2-ethyl-4-fluoro-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-[2-ethyl-4-fluoro-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-[2-ethyl-4-fluoro-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine is CCn1nc(C(F)(F)F)c(F)c1-c1nc(CN)co1.
What is the InChIKey of [2-[2-ethyl-4-fluoro-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine?
The InChIKey is YCHKQFSVONYEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N4O/c1-2-18-7(9-16-5(3-15)4-19-9)6(11)8(17-18)10(12,13)14/h4H,2-3,15H2,1H3.
What are the key properties of [2-[2-ethyl-4-fluoro-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine?
[2-[2-ethyl-4-fluoro-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine has a molecular weight of 278.21 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-ethyl-4-fluoro-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 70851815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).