4-[(4-chlorobenzoyl)amino]-N-[2-[4-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]ethyl]benzamide

C30H29ClN4O3 — CID 44532537

IUPAC4-[(4-chlorobenzoyl)amino]-N-[2-[4-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(c2ncc(-c3ccccc3)o2)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C30H29ClN4O3/c31-25-10-6-23(7-11-25)29(37)34-26-12-8-22(9-13-26)28(36)32-16-19-35-17-14-24(15-18-35)30-33-20-27(38-30)21-4-2-1-3-5-21/h1-13,20,24H,14-19H2,(H,32,36)(H,34,37)
InChIKeyROOGJQWECNCYNL-UHFFFAOYSA-N
MW529.04 g/mol
LogP5.86
Rot. Bonds8

About 4-[(4-chlorobenzoyl)amino]-N-[2-[4-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]ethyl]benzamide

4-[(4-chlorobenzoyl)amino]-N-[2-[4-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]ethyl]benzamide (PubChem CID 44532537) has the molecular formula C30H29ClN4O3 and a molecular weight of 529.04 g/mol. Its IUPAC name is 4-[(4-chlorobenzoyl)amino]-N-[2-[4-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorobenzoyl)amino]-N-[2-[4-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]ethyl]benzamide
PubChem CID44532537
Molecular FormulaC30H29ClN4O3
Molecular Weight529.04 g/mol
Exact Mass528.19
IUPAC Name4-[(4-chlorobenzoyl)amino]-N-[2-[4-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(c2ncc(-c3ccccc3)o2)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C30H29ClN4O3/c31-25-10-6-23(7-11-25)29(37)34-26-12-8-22(9-13-26)28(36)32-16-19-35-17-14-24(15-18-35)30-33-20-27(38-30)21-4-2-1-3-5-21/h1-13,20,24H,14-19H2,(H,32,36)(H,34,37)
InChIKeyROOGJQWECNCYNL-UHFFFAOYSA-N
XLogP5.86
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.04
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(4-chlorobenzoyl)amino]-N-[2-[4-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]ethyl]benzamide 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 4-[(4-chlorobenzoyl)amino]-N-[2-[4-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[2-[4-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]ethyl]benzamide (CID 44532537) is 4-[(4-chlorobenzoyl)amino]-N-[2-[4-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-[(4-chlorobenzoyl)amino]-N-[2-[4-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-[(4-chlorobenzoyl)amino]-N-[2-[4-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]ethyl]benzamide is O=C(NCCN1CCC(c2ncc(-c3ccccc3)o2)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorobenzoyl)amino]-N-[2-[4-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is ROOGJQWECNCYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClN4O3/c31-25-10-6-23(7-11-25)29(37)34-26-12-8-22(9-13-26)28(36)32-16-19-35-17-14-24(15-18-35)30-33-20-27(38-30)21-4-2-1-3-5-21/h1-13,20,24H,14-19H2,(H,32,36)(H,34,37).
What are the key properties of 4-[(4-chlorobenzoyl)amino]-N-[2-[4-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]ethyl]benzamide?
4-[(4-chlorobenzoyl)amino]-N-[2-[4-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 529.04 g/mol, XLogP of 5.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorobenzoyl)amino]-N-[2-[4-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 44532537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).