2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]-N-propylacetamide

C14H18ClN3O3 — CID 24505274

IUPAC2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C14H18ClN3O3/c1-3-6-16-13(19)8-17(2)9-18-11-5-4-10(15)7-12(11)21-14(18)20/h4-5,7H,3,6,8-9H2,1-2H3,(H,16,19)
InChIKeyARRZOVZPEVLSID-UHFFFAOYSA-N
MW311.77 g/mol
LogP1.66
Rot. Bonds6

About 2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]-N-propylacetamide

2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]-N-propylacetamide (PubChem CID 24505274) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]-N-propylacetamide
PubChem CID24505274
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C14H18ClN3O3/c1-3-6-16-13(19)8-17(2)9-18-11-5-4-10(15)7-12(11)21-14(18)20/h4-5,7H,3,6,8-9H2,1-2H3,(H,16,19)
InChIKeyARRZOVZPEVLSID-UHFFFAOYSA-N
XLogP1.66
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]-N-propylacetamide 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-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]-N-propylacetamide (CID 24505274) is 2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)Cn1c(=O)oc2cc(Cl)ccc21.
What is the InChIKey of 2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]-N-propylacetamide?
The InChIKey is ARRZOVZPEVLSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-3-6-16-13(19)8-17(2)9-18-11-5-4-10(15)7-12(11)21-14(18)20/h4-5,7H,3,6,8-9H2,1-2H3,(H,16,19).
What are the key properties of 2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]-N-propylacetamide?
2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]-N-propylacetamide has a molecular weight of 311.77 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 24505274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).