2-(4-chlorophenyl)-N-[4-[1-[3-(difluoromethyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]phenyl]-2-(dimethylamino)acetamide

C26H27ClF2N4O3 — CID 171681815

IUPAC2-(4-chlorophenyl)-N-[4-[1-[3-(difluoromethyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)C(C(=O)Nc1ccc(C2CCN(C(=O)c3cc(C(F)F)no3)CC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H27ClF2N4O3/c1-32(2)23(18-3-7-19(27)8-4-18)25(34)30-20-9-5-16(6-10-20)17-11-13-33(14-12-17)26(35)22-15-21(24(28)29)31-36-22/h3-10,15,17,23-24H,11-14H2,1-2H3,(H,30,34)
InChIKeyOWBCFHBXKLBMHH-UHFFFAOYSA-N
MW516.98 g/mol
LogP5.53
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[4-[1-[3-(difluoromethyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]phenyl]-2-(dimethylamino)acetamide

2-(4-chlorophenyl)-N-[4-[1-[3-(difluoromethyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]phenyl]-2-(dimethylamino)acetamide (PubChem CID 171681815) has the molecular formula C26H27ClF2N4O3 and a molecular weight of 516.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-[1-[3-(difluoromethyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]phenyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-[1-[3-(difluoromethyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]phenyl]-2-(dimethylamino)acetamide
PubChem CID171681815
Molecular FormulaC26H27ClF2N4O3
Molecular Weight516.98 g/mol
Exact Mass516.17
IUPAC Name2-(4-chlorophenyl)-N-[4-[1-[3-(difluoromethyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)C(C(=O)Nc1ccc(C2CCN(C(=O)c3cc(C(F)F)no3)CC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H27ClF2N4O3/c1-32(2)23(18-3-7-19(27)8-4-18)25(34)30-20-9-5-16(6-10-20)17-11-13-33(14-12-17)26(35)22-15-21(24(28)29)31-36-22/h3-10,15,17,23-24H,11-14H2,1-2H3,(H,30,34)
InChIKeyOWBCFHBXKLBMHH-UHFFFAOYSA-N
XLogP5.53
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.98
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[4-[1-[2-(4-chlorophenyl)-2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 171683523
(2S)-2-(4-chlorophenyl)-2-(dimethylamino)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 92614522
4-(4-chlorophenyl)-N-[4-[3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]phenyl]piperidine-1-carboxamide
CID 58867575
2-(4-chlorophenyl)-N-[4-[1-(3-methoxy-4-nitrobenzoyl)piperidin-4-yl]phenyl]propanamide
CID 171681760
2-chloro-N-[4-[1-[2-(dimethylamino)-1,3-oxazole-5-carbonyl]piperidin-4-yl]phenyl]-6,7-difluoroquinoline-3-carboxamide
CID 171685262
N-[4-[1-(3-acetamidobenzoyl)piperidin-4-yl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 171685515
(2R)-2-(4-chlorophenyl)-2-(dimethylamino)-1-[4-[3-[6-(hydroxymethyl)-3-pyridinyl]phenyl]piperidin-1-yl]ethanone
CID 171834518
4-(4-chlorophenyl)-N-[4-[(3R)-3-[methyl(pyrimidin-2-yl)amino]pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide
CID 58867411
(2S)-N-(4-chlorophenyl)-2-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]-2-azaspiro[3.3]heptan-6-yl]propanamide
CID 175748366
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562656
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 97147383
(4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 15290353

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-[1-[3-(difluoromethyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]phenyl]-2-(dimethylamino)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-[1-[3-(difluoromethyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]phenyl]-2-(dimethylamino)acetamide (CID 171681815) is 2-(4-chlorophenyl)-N-[4-[1-[3-(difluoromethyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]phenyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-[1-[3-(difluoromethyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]phenyl]-2-(dimethylamino)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-[1-[3-(difluoromethyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]phenyl]-2-(dimethylamino)acetamide is CN(C)C(C(=O)Nc1ccc(C2CCN(C(=O)c3cc(C(F)F)no3)CC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-[1-[3-(difluoromethyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]phenyl]-2-(dimethylamino)acetamide?
The InChIKey is OWBCFHBXKLBMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClF2N4O3/c1-32(2)23(18-3-7-19(27)8-4-18)25(34)30-20-9-5-16(6-10-20)17-11-13-33(14-12-17)26(35)22-15-21(24(28)29)31-36-22/h3-10,15,17,23-24H,11-14H2,1-2H3,(H,30,34).
What are the key properties of 2-(4-chlorophenyl)-N-[4-[1-[3-(difluoromethyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]phenyl]-2-(dimethylamino)acetamide?
2-(4-chlorophenyl)-N-[4-[1-[3-(difluoromethyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]phenyl]-2-(dimethylamino)acetamide has a molecular weight of 516.98 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-[1-[3-(difluoromethyl)-1,2-oxazole-5-carbonyl]piperidin-4-yl]phenyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 171681815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).