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

C23H28F2N4O3 — CID 138676439

IUPACN-[(3R,4R)-1-cyclopentyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CN(C2CCCC2)CC[C@H]1NC(=O)c1ncc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C23H28F2N4O3/c1-28(2)23(31)17-13-29(15-5-3-4-6-15)10-9-19(17)27-21(30)22-26-12-20(32-22)16-8-7-14(24)11-18(16)25/h7-8,11-12,15,17,19H,3-6,9-10,13H2,1-2H3,(H,27,30)/t17-,19-/m1/s1
InChIKeyANHUENQBUPFABC-IEBWSBKVSA-N
MW446.50 g/mol
LogP3.07
Rot. Bonds5

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

N-[(3R,4R)-1-cyclopentyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide (PubChem CID 138676439) has the molecular formula C23H28F2N4O3 and a molecular weight of 446.50 g/mol. Its IUPAC name is N-[(3R,4R)-1-cyclopentyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-cyclopentyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide
PubChem CID138676439
Molecular FormulaC23H28F2N4O3
Molecular Weight446.50 g/mol
Exact Mass446.21
IUPAC NameN-[(3R,4R)-1-cyclopentyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CN(C2CCCC2)CC[C@H]1NC(=O)c1ncc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C23H28F2N4O3/c1-28(2)23(31)17-13-29(15-5-3-4-6-15)10-9-19(17)27-21(30)22-26-12-20(32-22)16-8-7-14(24)11-18(16)25/h7-8,11-12,15,17,19H,3-6,9-10,13H2,1-2H3,(H,27,30)/t17-,19-/m1/s1
InChIKeyANHUENQBUPFABC-IEBWSBKVSA-N
XLogP3.07
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Phenyl-2-(4-(piperidin-1-yl)butyl)oxazole
CID 52946272
(S)-2-(1-((S)-1-carboxy-2-(5-phenyloxazol-2-yl)ethylcarbamoyl)cyclopentylamino)pentanoic acid
CID 54585610
N-piperidin-4-yl-5-(4-sulfamoylphenyl)-1,3-oxazole-2-carboxamide
CID 155527975
4-[2-(4-Aminopiperidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 155551316
1-(5-Phenyloxazol-2-yl)octadec-9-en-1-one
CID 11154099
1-(5-(2-Fluorophenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110633
1-(5-(3-Fluorophenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110639
1-(5-(4-Fluorophenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110645
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((5-phenyl-2-oxazolyl)methyl)amino)-
CID 454392
3-[2-(5-Phenyloxazol-2-yl)ethyl]-5-ethyl-6-methylpyridin-2(1H)-one
CID 454799
1-(5-Phenyloxazol-2-yl)heptadec-8-en-1-one
CID 44589358
4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 66674212

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-cyclopentyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[(3R,4R)-1-cyclopentyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide (CID 138676439) is N-[(3R,4R)-1-cyclopentyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-cyclopentyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-cyclopentyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide is CN(C)C(=O)[C@@H]1CN(C2CCCC2)CC[C@H]1NC(=O)c1ncc(-c2ccc(F)cc2F)o1.
What is the InChIKey of N-[(3R,4R)-1-cyclopentyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide?
The InChIKey is ANHUENQBUPFABC-IEBWSBKVSA-N. The full InChI is InChI=1S/C23H28F2N4O3/c1-28(2)23(31)17-13-29(15-5-3-4-6-15)10-9-19(17)27-21(30)22-26-12-20(32-22)16-8-7-14(24)11-18(16)25/h7-8,11-12,15,17,19H,3-6,9-10,13H2,1-2H3,(H,27,30)/t17-,19-/m1/s1.
What are the key properties of N-[(3R,4R)-1-cyclopentyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide?
N-[(3R,4R)-1-cyclopentyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 3.07, 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-cyclopentyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 138676439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).