N-(1-benzylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide

C22H21F2N3O2 — CID 162651161

IUPACN-(1-benzylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C22H21F2N3O2/c23-16-6-7-18(19(24)12-16)21-13-20(26-29-21)22(28)25-17-8-10-27(11-9-17)14-15-4-2-1-3-5-15/h1-7,12-13,17H,8-11,14H2,(H,25,28)
InChIKeyRGWYWYOSBWFRBG-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.01
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide

N-(1-benzylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 162651161) has the molecular formula C22H21F2N3O2 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID162651161
Molecular FormulaC22H21F2N3O2
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C22H21F2N3O2/c23-16-6-7-18(19(24)12-16)21-13-20(26-29-21)22(28)25-17-8-10-27(11-9-17)14-15-4-2-1-3-5-15/h1-7,12-13,17H,8-11,14H2,(H,25,28)
InChIKeyRGWYWYOSBWFRBG-UHFFFAOYSA-N
XLogP4.01
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-benzyl-2-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid
CID 134211299
4-[[4-[[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid;hydrochloride
CID 169080353
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95145261
5-(2,4-difluorophenyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 169080373
N-[[1-[[4-[(R)-amino(hydroxy)methyl]phenyl]methyl]piperidin-4-yl]methyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 170195098
1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
CID 972217
(3S,4S)-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-(2-methylpropyl)piperidine-3-carboxylic acid
CID 134210401
(3S,4S)-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 134209960
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 94024983
(3S,4S)-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid
CID 134211654
4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-[(1-methylcyclobutyl)methyl]piperidine-3-carboxylic acid
CID 134209470
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55957237

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide (CID 162651161) is N-(1-benzylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccc(F)cc2F)on1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RGWYWYOSBWFRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O2/c23-16-6-7-18(19(24)12-16)21-13-20(26-29-21)22(28)25-17-8-10-27(11-9-17)14-15-4-2-1-3-5-15/h1-7,12-13,17H,8-11,14H2,(H,25,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 162651161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).