2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide

C8H10ClN3O3 — CID 81177144

IUPAC2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide
SMILESCC(Cl)C(=O)NC(=O)NCc1ccon1
InChIInChI=1S/C8H10ClN3O3/c1-5(9)7(13)11-8(14)10-4-6-2-3-15-12-6/h2-3,5H,4H2,1H3,(H2,10,11,13,14)
InChIKeyQXEWFTMSZBDTDB-UHFFFAOYSA-N
MW231.64 g/mol
LogP0.63
Rot. Bonds3

About 2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide

2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide (PubChem CID 81177144) has the molecular formula C8H10ClN3O3 and a molecular weight of 231.64 g/mol. Its IUPAC name is 2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide
PubChem CID81177144
Molecular FormulaC8H10ClN3O3
Molecular Weight231.64 g/mol
Exact Mass231.04
IUPAC Name2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide
SMILESCC(Cl)C(=O)NC(=O)NCc1ccon1
InChIInChI=1S/C8H10ClN3O3/c1-5(9)7(13)11-8(14)10-4-6-2-3-15-12-6/h2-3,5H,4H2,1H3,(H2,10,11,13,14)
InChIKeyQXEWFTMSZBDTDB-UHFFFAOYSA-N
XLogP0.63
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide?
The IUPAC name of 2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide (CID 81177144) is 2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide.
What is the SMILES notation for 2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide?
The canonical SMILES for 2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide is CC(Cl)C(=O)NC(=O)NCc1ccon1.
What is the InChIKey of 2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide?
The InChIKey is QXEWFTMSZBDTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3/c1-5(9)7(13)11-8(14)10-4-6-2-3-15-12-6/h2-3,5H,4H2,1H3,(H2,10,11,13,14).
What are the key properties of 2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide?
2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide has a molecular weight of 231.64 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide is sourced from PubChem (CID 81177144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).