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

C24H30F2N4O3 — CID 138676315

IUPACN-[1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide
SMILESCN(C)C(=O)C1CN(C2CCCCC2)CCC1NC(=O)c1ncc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C24H30F2N4O3/c1-29(2)24(32)18-14-30(16-6-4-3-5-7-16)11-10-20(18)28-22(31)23-27-13-21(33-23)17-9-8-15(25)12-19(17)26/h8-9,12-13,16,18,20H,3-7,10-11,14H2,1-2H3,(H,28,31)
InChIKeyQCPOYJWWKWWPPG-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.46
Rot. Bonds5

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

N-[1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide (PubChem CID 138676315) has the molecular formula C24H30F2N4O3 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide
PubChem CID138676315
Molecular FormulaC24H30F2N4O3
Molecular Weight460.53 g/mol
Exact Mass460.23
IUPAC NameN-[1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide
SMILESCN(C)C(=O)C1CN(C2CCCCC2)CCC1NC(=O)c1ncc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C24H30F2N4O3/c1-29(2)24(32)18-14-30(16-6-4-3-5-7-16)11-10-20(18)28-22(31)23-27-13-21(33-23)17-9-8-15(25)12-19(17)26/h8-9,12-13,16,18,20H,3-7,10-11,14H2,1-2H3,(H,28,31)
InChIKeyQCPOYJWWKWWPPG-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide (CID 138676315) is N-[1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide is CN(C)C(=O)C1CN(C2CCCCC2)CCC1NC(=O)c1ncc(-c2ccc(F)cc2F)o1.
What is the InChIKey of N-[1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide?
The InChIKey is QCPOYJWWKWWPPG-UHFFFAOYSA-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)28-22(31)23-27-13-21(33-23)17-9-8-15(25)12-19(17)26/h8-9,12-13,16,18,20H,3-7,10-11,14H2,1-2H3,(H,28,31).
What are the key properties of N-[1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide?
N-[1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-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-[1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 138676315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).