2-[5-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-4-amine

C15H16F2N6O — CID 167867174

IUPAC2-[5-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-4-amine
SMILESCc1nn(CC(F)F)cc1-c1nc(-c2cc(N(C)C)ccn2)no1
InChIInChI=1S/C15H16F2N6O/c1-9-11(7-23(20-9)8-13(16)17)15-19-14(21-24-15)12-6-10(22(2)3)4-5-18-12/h4-7,13H,8H2,1-3H3
InChIKeyVDCMWTNJJRVIAT-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.63
Rot. Bonds5

About 2-[5-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-4-amine

2-[5-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-4-amine (PubChem CID 167867174) has the molecular formula C15H16F2N6O and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-[5-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-4-amine.

Molecular Properties

Compound Name2-[5-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-4-amine
PubChem CID167867174
Molecular FormulaC15H16F2N6O
Molecular Weight334.33 g/mol
Exact Mass334.14
IUPAC Name2-[5-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-4-amine
SMILESCc1nn(CC(F)F)cc1-c1nc(-c2cc(N(C)C)ccn2)no1
InChIInChI=1S/C15H16F2N6O/c1-9-11(7-23(20-9)8-13(16)17)15-19-14(21-24-15)12-6-10(22(2)3)4-5-18-12/h4-7,13H,8H2,1-3H3
InChIKeyVDCMWTNJJRVIAT-UHFFFAOYSA-N
XLogP2.63
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-4-amine?
The IUPAC name of 2-[5-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-4-amine (CID 167867174) is 2-[5-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-4-amine.
What is the SMILES notation for 2-[5-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-4-amine?
The canonical SMILES for 2-[5-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-4-amine is Cc1nn(CC(F)F)cc1-c1nc(-c2cc(N(C)C)ccn2)no1.
What is the InChIKey of 2-[5-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-4-amine?
The InChIKey is VDCMWTNJJRVIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N6O/c1-9-11(7-23(20-9)8-13(16)17)15-19-14(21-24-15)12-6-10(22(2)3)4-5-18-12/h4-7,13H,8H2,1-3H3.
What are the key properties of 2-[5-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-4-amine?
2-[5-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-4-amine has a molecular weight of 334.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-4-amine is sourced from PubChem (CID 167867174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).