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

C24H23Cl2N3O4 — CID 46948461

IUPACN-[(3,4-dichlorophenyl)methyl]-5-[1-(4-methoxybenzoyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCCCC2c2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)no2)cc1
InChIInChI=1S/C24H23Cl2N3O4/c1-32-17-8-6-16(7-9-17)24(31)29-11-3-2-4-21(29)22-13-20(28-33-22)23(30)27-14-15-5-10-18(25)19(26)12-15/h5-10,12-13,21H,2-4,11,14H2,1H3,(H,27,30)
InChIKeyBKAHICCXJIOOEW-UHFFFAOYSA-N
MW488.37 g/mol
LogP5.29
Rot. Bonds6

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

N-[(3,4-dichlorophenyl)methyl]-5-[1-(4-methoxybenzoyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 46948461) has the molecular formula C24H23Cl2N3O4 and a molecular weight of 488.37 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-5-[1-(4-methoxybenzoyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-5-[1-(4-methoxybenzoyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID46948461
Molecular FormulaC24H23Cl2N3O4
Molecular Weight488.37 g/mol
Exact Mass487.11
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-5-[1-(4-methoxybenzoyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCCCC2c2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)no2)cc1
InChIInChI=1S/C24H23Cl2N3O4/c1-32-17-8-6-16(7-9-17)24(31)29-11-3-2-4-21(29)22-13-20(28-33-22)23(30)27-14-15-5-10-18(25)19(26)12-15/h5-10,12-13,21H,2-4,11,14H2,1H3,(H,27,30)
InChIKeyBKAHICCXJIOOEW-UHFFFAOYSA-N
XLogP5.29
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.37
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3,4-dichlorophenyl)methyl]-5-[1-(4-methoxybenzoyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-5-[1-(4-methoxybenzoyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-5-[1-(4-methoxybenzoyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide (CID 46948461) is N-[(3,4-dichlorophenyl)methyl]-5-[1-(4-methoxybenzoyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-5-[1-(4-methoxybenzoyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-5-[1-(4-methoxybenzoyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide is COc1ccc(C(=O)N2CCCCC2c2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)no2)cc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-5-[1-(4-methoxybenzoyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is BKAHICCXJIOOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O4/c1-32-17-8-6-16(7-9-17)24(31)29-11-3-2-4-21(29)22-13-20(28-33-22)23(30)27-14-15-5-10-18(25)19(26)12-15/h5-10,12-13,21H,2-4,11,14H2,1H3,(H,27,30).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-5-[1-(4-methoxybenzoyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-5-[1-(4-methoxybenzoyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 488.37 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-5-[1-(4-methoxybenzoyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46948461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).