3-chloro-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C7H9ClN2O2 — CID 3581927

IUPAC3-chloro-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCCl)no1
InChIInChI=1S/C7H9ClN2O2/c1-5-4-6(10-12-5)9-7(11)2-3-8/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeyDOWJBOVWCLRCFZ-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.55
Rot. Bonds3

About 3-chloro-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-chloro-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 3581927) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 3-chloro-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID3581927
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name3-chloro-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCCl)no1
InChIInChI=1S/C7H9ClN2O2/c1-5-4-6(10-12-5)9-7(11)2-3-8/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeyDOWJBOVWCLRCFZ-UHFFFAOYSA-N
XLogP1.55
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-chloro-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-chloro-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 3581927) is 3-chloro-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-chloro-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-chloro-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCCl)no1.
What is the InChIKey of 3-chloro-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is DOWJBOVWCLRCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-5-4-6(10-12-5)9-7(11)2-3-8/h4H,2-3H2,1H3,(H,9,10,11).
What are the key properties of 3-chloro-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-chloro-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 188.61 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 3581927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).