N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C24H24Cl2N4O3 — CID 39857745

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C24H24Cl2N4O3/c1-15-21(23(29-33-15)22-18(25)8-5-9-19(22)26)24(32)28-17-10-12-30(13-11-17)14-20(31)27-16-6-3-2-4-7-16/h2-9,17H,10-14H2,1H3,(H,27,31)(H,28,32)
InChIKeyPBVSISWXDOFPLE-UHFFFAOYSA-N
MW487.39 g/mol
LogP4.79
Rot. Bonds6

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 39857745) has the molecular formula C24H24Cl2N4O3 and a molecular weight of 487.39 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID39857745
Molecular FormulaC24H24Cl2N4O3
Molecular Weight487.39 g/mol
Exact Mass486.12
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C24H24Cl2N4O3/c1-15-21(23(29-33-15)22-18(25)8-5-9-19(22)26)24(32)28-17-10-12-30(13-11-17)14-20(31)27-16-6-3-2-4-7-16/h2-9,17H,10-14H2,1H3,(H,27,31)(H,28,32)
InChIKeyPBVSISWXDOFPLE-UHFFFAOYSA-N
XLogP4.79
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.39
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,6-dichlorophenyl)-5-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1,2-oxazole-4-carboxamide
CID 31825313
3-(2,6-dichlorophenyl)-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 11613019
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119180037
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 167978791
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
CID 16613492
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
cis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675824
methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate
CID 55761750
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
N-(4-aminocyclohexyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119476843
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 42014034

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 39857745) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is PBVSISWXDOFPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O3/c1-15-21(23(29-33-15)22-18(25)8-5-9-19(22)26)24(32)28-17-10-12-30(13-11-17)14-20(31)27-16-6-3-2-4-7-16/h2-9,17H,10-14H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 487.39 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 39857745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).