N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide

C26H23Cl2N3O2 — CID 60608120

IUPACN-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)N(Cc3ccc(Cl)c(Cl)c3)Cc3ccccn3)o2)cc1
InChIInChI=1S/C26H23Cl2N3O2/c1-18-5-8-20(9-6-18)24-15-30-25(33-24)11-12-26(32)31(17-21-4-2-3-13-29-21)16-19-7-10-22(27)23(28)14-19/h2-10,13-15H,11-12,16-17H2,1H3
InChIKeyJILNAXSWIVYEGD-UHFFFAOYSA-N
MW480.40 g/mol
LogP6.51
Rot. Bonds8

About N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide

N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 60608120) has the molecular formula C26H23Cl2N3O2 and a molecular weight of 480.40 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID60608120
Molecular FormulaC26H23Cl2N3O2
Molecular Weight480.40 g/mol
Exact Mass479.12
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)N(Cc3ccc(Cl)c(Cl)c3)Cc3ccccn3)o2)cc1
InChIInChI=1S/C26H23Cl2N3O2/c1-18-5-8-20(9-6-18)24-15-30-25(33-24)11-12-26(32)31(17-21-4-2-3-13-29-21)16-19-7-10-22(27)23(28)14-19/h2-10,13-15H,11-12,16-17H2,1H3
InChIKeyJILNAXSWIVYEGD-UHFFFAOYSA-N
XLogP6.51
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.40
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide 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]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide (CID 60608120) is N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide is Cc1ccc(-c2cnc(CCC(=O)N(Cc3ccc(Cl)c(Cl)c3)Cc3ccccn3)o2)cc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is JILNAXSWIVYEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N3O2/c1-18-5-8-20(9-6-18)24-15-30-25(33-24)11-12-26(32)31(17-21-4-2-3-13-29-21)16-19-7-10-22(27)23(28)14-19/h2-10,13-15H,11-12,16-17H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide?
N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 480.40 g/mol, XLogP of 6.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 60608120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).