2-[(3-chlorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)-N-propyl-1,3-benzoxazole-5-carboxamide

C24H29ClN4O3 — CID 70309377

IUPAC2-[(3-chlorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)-N-propyl-1,3-benzoxazole-5-carboxamide
SMILESCCCN(CCN1CCOCC1)C(=O)c1ccc2oc(NCc3cccc(Cl)c3)nc2c1
InChIInChI=1S/C24H29ClN4O3/c1-2-8-29(10-9-28-11-13-31-14-12-28)23(30)19-6-7-22-21(16-19)27-24(32-22)26-17-18-4-3-5-20(25)15-18/h3-7,15-16H,2,8-14,17H2,1H3,(H,26,27)
InChIKeyDZQFIZPMIBXVFD-UHFFFAOYSA-N
MW456.97 g/mol
LogP4.28
Rot. Bonds9

About 2-[(3-chlorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)-N-propyl-1,3-benzoxazole-5-carboxamide

2-[(3-chlorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)-N-propyl-1,3-benzoxazole-5-carboxamide (PubChem CID 70309377) has the molecular formula C24H29ClN4O3 and a molecular weight of 456.97 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)-N-propyl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)-N-propyl-1,3-benzoxazole-5-carboxamide
PubChem CID70309377
Molecular FormulaC24H29ClN4O3
Molecular Weight456.97 g/mol
Exact Mass456.19
IUPAC Name2-[(3-chlorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)-N-propyl-1,3-benzoxazole-5-carboxamide
SMILESCCCN(CCN1CCOCC1)C(=O)c1ccc2oc(NCc3cccc(Cl)c3)nc2c1
InChIInChI=1S/C24H29ClN4O3/c1-2-8-29(10-9-28-11-13-31-14-12-28)23(30)19-6-7-22-21(16-19)27-24(32-22)26-17-18-4-3-5-20(25)15-18/h3-7,15-16H,2,8-14,17H2,1H3,(H,26,27)
InChIKeyDZQFIZPMIBXVFD-UHFFFAOYSA-N
XLogP4.28
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3-chlorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)-N-propyl-1,3-benzoxazole-5-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 2-[(3-chlorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)-N-propyl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-[(3-chlorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)-N-propyl-1,3-benzoxazole-5-carboxamide (CID 70309377) is 2-[(3-chlorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)-N-propyl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)-N-propyl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)-N-propyl-1,3-benzoxazole-5-carboxamide is CCCN(CCN1CCOCC1)C(=O)c1ccc2oc(NCc3cccc(Cl)c3)nc2c1.
What is the InChIKey of 2-[(3-chlorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)-N-propyl-1,3-benzoxazole-5-carboxamide?
The InChIKey is DZQFIZPMIBXVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3/c1-2-8-29(10-9-28-11-13-31-14-12-28)23(30)19-6-7-22-21(16-19)27-24(32-22)26-17-18-4-3-5-20(25)15-18/h3-7,15-16H,2,8-14,17H2,1H3,(H,26,27).
What are the key properties of 2-[(3-chlorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)-N-propyl-1,3-benzoxazole-5-carboxamide?
2-[(3-chlorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)-N-propyl-1,3-benzoxazole-5-carboxamide has a molecular weight of 456.97 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)-N-propyl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 70309377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).