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

C19H17F2N5O2 — CID 134524343

IUPAC2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carbonitrile
SMILESN#Cc1cnc(N2CCC(C(=O)N3N=CC[C@H]3c3cc(F)cc(F)c3)CC2)o1
InChIInChI=1S/C19H17F2N5O2/c20-14-7-13(8-15(21)9-14)17-1-4-24-26(17)18(27)12-2-5-25(6-3-12)19-23-11-16(10-22)28-19/h4,7-9,11-12,17H,1-3,5-6H2/t17-/m0/s1
InChIKeyQWEKEICMMJAQJG-KRWDZBQOSA-N
MW385.37 g/mol
LogP3.00
Rot. Bonds3

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

2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carbonitrile (PubChem CID 134524343) has the molecular formula C19H17F2N5O2 and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carbonitrile.

Molecular Properties

Compound Name2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carbonitrile
PubChem CID134524343
Molecular FormulaC19H17F2N5O2
Molecular Weight385.37 g/mol
Exact Mass385.14
IUPAC Name2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carbonitrile
SMILESN#Cc1cnc(N2CCC(C(=O)N3N=CC[C@H]3c3cc(F)cc(F)c3)CC2)o1
InChIInChI=1S/C19H17F2N5O2/c20-14-7-13(8-15(21)9-14)17-1-4-24-26(17)18(27)12-2-5-25(6-3-12)19-23-11-16(10-22)28-19/h4,7-9,11-12,17H,1-3,5-6H2/t17-/m0/s1
InChIKeyQWEKEICMMJAQJG-KRWDZBQOSA-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-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-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-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carbonitrile?
The IUPAC name of 2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carbonitrile (CID 134524343) is 2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carbonitrile.
What is the SMILES notation for 2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carbonitrile?
The canonical SMILES for 2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carbonitrile is N#Cc1cnc(N2CCC(C(=O)N3N=CC[C@H]3c3cc(F)cc(F)c3)CC2)o1.
What is the InChIKey of 2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carbonitrile?
The InChIKey is QWEKEICMMJAQJG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17F2N5O2/c20-14-7-13(8-15(21)9-14)17-1-4-24-26(17)18(27)12-2-5-25(6-3-12)19-23-11-16(10-22)28-19/h4,7-9,11-12,17H,1-3,5-6H2/t17-/m0/s1.
What are the key properties of 2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carbonitrile?
2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-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-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carbonitrile is sourced from PubChem (CID 134524343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).