3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide

C22H22F2N4O2 — CID 92577470

IUPAC3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(C2CCN(Cc3ccc(F)c(F)c3)CC2)no1
InChIInChI=1S/C22H22F2N4O2/c23-18-5-4-15(11-19(18)24)14-28-9-6-16(7-10-28)20-12-21(30-27-20)22(29)26-13-17-3-1-2-8-25-17/h1-5,8,11-12,16H,6-7,9-10,13-14H2,(H,26,29)
InChIKeyDENIXKSZSMKRFK-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.66
Rot. Bonds6

About 3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide

3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 92577470) has the molecular formula C22H22F2N4O2 and a molecular weight of 412.44 g/mol. Its IUPAC name is 3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
PubChem CID92577470
Molecular FormulaC22H22F2N4O2
Molecular Weight412.44 g/mol
Exact Mass412.17
IUPAC Name3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(C2CCN(Cc3ccc(F)c(F)c3)CC2)no1
InChIInChI=1S/C22H22F2N4O2/c23-18-5-4-15(11-19(18)24)14-28-9-6-16(7-10-28)20-12-21(30-27-20)22(29)26-13-17-3-1-2-8-25-17/h1-5,8,11-12,16H,6-7,9-10,13-14H2,(H,26,29)
InChIKeyDENIXKSZSMKRFK-UHFFFAOYSA-N
XLogP3.66
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 92568611
N-[(4-fluorophenyl)methyl]-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 92572794
3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92568136
3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-N-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 92568673
[3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
CID 92568102
3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92568018
4-[(3,4-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 7289201
N-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92568130
N-cyclopropyl-3-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110228950
N-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92577417
3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide
CID 92568609
1-[(4-chloro-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 100684761

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide (CID 92577470) is 3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide is O=C(NCc1ccccn1)c1cc(C2CCN(Cc3ccc(F)c(F)c3)CC2)no1.
What is the InChIKey of 3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is DENIXKSZSMKRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2/c23-18-5-4-15(11-19(18)24)14-28-9-6-16(7-10-28)20-12-21(30-27-20)22(29)26-13-17-3-1-2-8-25-17/h1-5,8,11-12,16H,6-7,9-10,13-14H2,(H,26,29).
What are the key properties of 3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide?
3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 412.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92577470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).