2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile

C19H17F2N5O2 — CID 135313711

IUPAC2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1coc(N2CCC(C(=O)N3N=CCC3c3cc(F)cc(F)c3)CC2)n1
InChIInChI=1S/C19H17F2N5O2/c20-14-7-13(8-15(21)9-14)17-1-4-23-26(17)18(27)12-2-5-25(6-3-12)19-24-16(10-22)11-28-19/h4,7-9,11-12,17H,1-3,5-6H2
InChIKeyVJGBCBCLVSFQTM-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.00
Rot. Bonds3

About 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile

2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 135313711) has the molecular formula C19H17F2N5O2 and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile
PubChem CID135313711
Molecular FormulaC19H17F2N5O2
Molecular Weight385.37 g/mol
Exact Mass385.14
IUPAC Name2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1coc(N2CCC(C(=O)N3N=CCC3c3cc(F)cc(F)c3)CC2)n1
InChIInChI=1S/C19H17F2N5O2/c20-14-7-13(8-15(21)9-14)17-1-4-23-26(17)18(27)12-2-5-25(6-3-12)19-24-16(10-22)11-28-19/h4,7-9,11-12,17H,1-3,5-6H2
InChIKeyVJGBCBCLVSFQTM-UHFFFAOYSA-N
XLogP3.00
TPSA85.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile 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-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile (CID 135313711) is 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile is N#Cc1coc(N2CCC(C(=O)N3N=CCC3c3cc(F)cc(F)c3)CC2)n1.
What is the InChIKey of 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is VJGBCBCLVSFQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O2/c20-14-7-13(8-15(21)9-14)17-1-4-23-26(17)18(27)12-2-5-25(6-3-12)19-24-16(10-22)11-28-19/h4,7-9,11-12,17H,1-3,5-6H2.
What are the key properties of 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile?
2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 385.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 135313711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).