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

C24H22F5N3O2 — CID 169080373

IUPAC5-(2,4-difluorophenyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C24H22F5N3O2/c25-18-5-6-19(20(26)11-18)22-12-21(31-34-22)23(33)30-13-15-7-9-32(10-8-15)14-16-1-3-17(4-2-16)24(27,28)29/h1-6,11-12,15H,7-10,13-14H2,(H,30,33)
InChIKeyNMQMEFRSAYCZND-UHFFFAOYSA-N
MW479.45 g/mol
LogP5.28
Rot. Bonds6

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

5-(2,4-difluorophenyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 169080373) has the molecular formula C24H22F5N3O2 and a molecular weight of 479.45 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID169080373
Molecular FormulaC24H22F5N3O2
Molecular Weight479.45 g/mol
Exact Mass479.16
IUPAC Name5-(2,4-difluorophenyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C24H22F5N3O2/c25-18-5-6-19(20(26)11-18)22-12-21(31-34-22)23(33)30-13-15-7-9-32(10-8-15)14-16-1-3-17(4-2-16)24(27,28)29/h1-6,11-12,15H,7-10,13-14H2,(H,30,33)
InChIKeyNMQMEFRSAYCZND-UHFFFAOYSA-N
XLogP5.28
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.45
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid;hydrochloride
CID 169080353
N-[[1-[[4-[(R)-amino(hydroxy)methyl]phenyl]methyl]piperidin-4-yl]methyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 170195098
N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 169080368
N-(1-benzylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 162651161
5-cyclopropyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 119041616
(3S)-1-benzyl-2-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid
CID 134211299
N-[(3R,4R)-1-(cyclopropylmethyl)-3-(methoxymethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 134209326
(3S,4S)-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 134209960
N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 131910543
2-chloro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide
CID 90650438
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide
CID 58933474
2-(2,4-difluorophenyl)-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 169172884

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,4-difluorophenyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide (CID 169080373) is 5-(2,4-difluorophenyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,4-difluorophenyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,4-difluorophenyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide is O=C(NCC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1cc(-c2ccc(F)cc2F)on1.
What is the InChIKey of 5-(2,4-difluorophenyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is NMQMEFRSAYCZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F5N3O2/c25-18-5-6-19(20(26)11-18)22-12-21(31-34-22)23(33)30-13-15-7-9-32(10-8-15)14-16-1-3-17(4-2-16)24(27,28)29/h1-6,11-12,15H,7-10,13-14H2,(H,30,33).
What are the key properties of 5-(2,4-difluorophenyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
5-(2,4-difluorophenyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 479.45 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 169080373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).