3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide

C10H9ClN2O3 — CID 11543243

IUPAC3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
SMILESO=C(CCCl)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C10H9ClN2O3/c11-4-3-9(14)12-6-1-2-7-8(5-6)16-10(15)13-7/h1-2,5H,3-4H2,(H,12,14)(H,13,15)
InChIKeyZBNIKKFXWNEWLH-UHFFFAOYSA-N
MW240.65 g/mol
LogP1.69
Rot. Bonds3

About 3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide

3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide (PubChem CID 11543243) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is 3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
PubChem CID11543243
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC Name3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
SMILESO=C(CCCl)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C10H9ClN2O3/c11-4-3-9(14)12-6-1-2-7-8(5-6)16-10(15)13-7/h1-2,5H,3-4H2,(H,12,14)(H,13,15)
InChIKeyZBNIKKFXWNEWLH-UHFFFAOYSA-N
XLogP1.69
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 83820376
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide
CID 115166967
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]butanoate
CID 110662078
4-(methylamino)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110838149
3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110616374
5-(4-fluorophenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanamide
CID 110616402
4-(2-methylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110608184
3-(4-methylphenyl)sulfonyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110616370
6-(3-chloropropanoyl)-3H-1,3-benzoxazol-2-one
CID 11790876
2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 115175381
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401
1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 155113953

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
The IUPAC name of 3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide (CID 11543243) is 3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide.
What is the SMILES notation for 3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
The canonical SMILES for 3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide is O=C(CCCl)Nc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
The InChIKey is ZBNIKKFXWNEWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3/c11-4-3-9(14)12-6-1-2-7-8(5-6)16-10(15)13-7/h1-2,5H,3-4H2,(H,12,14)(H,13,15).
What are the key properties of 3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide has a molecular weight of 240.65 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide is sourced from PubChem (CID 11543243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).