N-[(3R,4R)-1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide

C24H30F2N4O3 — CID 138676418

IUPACN-[(3R,4R)-1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide
SMILESCN(C)C(=O)[C@@H]1CN(C2CCCCC2)CC[C@H]1NC(=O)c1cc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C24H30F2N4O3/c1-29(2)24(32)18-14-30(16-6-4-3-5-7-16)11-10-20(18)27-23(31)22-13-21(28-33-22)17-9-8-15(25)12-19(17)26/h8-9,12-13,16,18,20H,3-7,10-11,14H2,1-2H3,(H,27,31)/t18-,20-/m1/s1
InChIKeyYYPTZRGUOMVJMD-UYAOXDASSA-N
MW460.53 g/mol
LogP3.46
Rot. Bonds5

About N-[(3R,4R)-1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide

N-[(3R,4R)-1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide (PubChem CID 138676418) has the molecular formula C24H30F2N4O3 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[(3R,4R)-1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide
PubChem CID138676418
Molecular FormulaC24H30F2N4O3
Molecular Weight460.53 g/mol
Exact Mass460.23
IUPAC NameN-[(3R,4R)-1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide
SMILESCN(C)C(=O)[C@@H]1CN(C2CCCCC2)CC[C@H]1NC(=O)c1cc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C24H30F2N4O3/c1-29(2)24(32)18-14-30(16-6-4-3-5-7-16)11-10-20(18)27-23(31)22-13-21(28-33-22)17-9-8-15(25)12-19(17)26/h8-9,12-13,16,18,20H,3-7,10-11,14H2,1-2H3,(H,27,31)/t18-,20-/m1/s1
InChIKeyYYPTZRGUOMVJMD-UYAOXDASSA-N
XLogP3.46
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide
CID 138676315
N-[(3R,4R)-1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 138676169
N-[(3R,4R)-1-cyclohexyl-3-[methyl(2-phenylethyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 138676097
N-[1-cyclohexyl-3-(methylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 138676272
N-[(3R,4R)-3-[[(1R)-1-cyclobutylethyl]carbamoyl]-1-[(1R,2R)-2-methylcyclopentyl]piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide
CID 164607300
5-(2,4-difluorophenyl)-N-[(3R,4R)-3-(dimethylcarbamoyl)-1-[(1S,2R)-2-ethylcyclopentyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 138676313
1-cyclopentyl-4-[[5-(2,4-difluorophenyl)-1,2,4-oxadiazole-3-carbonyl]amino]piperidine-3-carboxylic acid
CID 134209273
1-(cyclopropylmethyl)-4-[[3-(2,4-difluorophenyl)-1,2-oxazole-5-carbonyl]amino]piperidine-3-carboxylic acid
CID 134209473
methyl (3S,4S)-1-cyclobutyl-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylate
CID 134209318
5-(2,4-difluorophenyl)-N-[(3R,4R)-3-(dimethylcarbamoyl)-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 138676410
5-(2,4-difluorophenyl)-N-[(3R,4R)-1-[(1R,2R)-2-hydroxycyclohexyl]-3-[methyl(2-phenylethyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 138676117
N-[(3R,4S)-1-cyclohexyl-3-[[(1R)-1-(6-methyl-2-pyridinyl)ethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 164607308

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(3R,4R)-1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide (CID 138676418) is N-[(3R,4R)-1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide is CN(C)C(=O)[C@@H]1CN(C2CCCCC2)CC[C@H]1NC(=O)c1cc(-c2ccc(F)cc2F)no1.
What is the InChIKey of N-[(3R,4R)-1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is YYPTZRGUOMVJMD-UYAOXDASSA-N. The full InChI is InChI=1S/C24H30F2N4O3/c1-29(2)24(32)18-14-30(16-6-4-3-5-7-16)11-10-20(18)27-23(31)22-13-21(28-33-22)17-9-8-15(25)12-19(17)26/h8-9,12-13,16,18,20H,3-7,10-11,14H2,1-2H3,(H,27,31)/t18-,20-/m1/s1.
What are the key properties of N-[(3R,4R)-1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide?
N-[(3R,4R)-1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 138676418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).