N-tert-butyl-2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide

C13H15ClN2O3 — CID 949731

IUPACN-tert-butyl-2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1c(=O)oc2ccc(Cl)cc21
InChIInChI=1S/C13H15ClN2O3/c1-13(2,3)15-11(17)7-16-9-6-8(14)4-5-10(9)19-12(16)18/h4-6H,7H2,1-3H3,(H,15,17)
InChIKeyMAGFJKGMWYWEMQ-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.16
Rot. Bonds2

About N-tert-butyl-2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide

N-tert-butyl-2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 949731) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is N-tert-butyl-2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID949731
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC NameN-tert-butyl-2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1c(=O)oc2ccc(Cl)cc21
InChIInChI=1S/C13H15ClN2O3/c1-13(2,3)15-11(17)7-16-9-6-8(14)4-5-10(9)19-12(16)18/h4-6H,7H2,1-3H3,(H,15,17)
InChIKeyMAGFJKGMWYWEMQ-UHFFFAOYSA-N
XLogP2.16
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide 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-tert-butyl-2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 949731) is N-tert-butyl-2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide is CC(C)(C)NC(=O)Cn1c(=O)oc2ccc(Cl)cc21.
What is the InChIKey of N-tert-butyl-2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is MAGFJKGMWYWEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-13(2,3)15-11(17)7-16-9-6-8(14)4-5-10(9)19-12(16)18/h4-6H,7H2,1-3H3,(H,15,17).
What are the key properties of N-tert-butyl-2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-tert-butyl-2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 282.73 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 949731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).