2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide

C7H9ClN2O2 — CID 130794359

IUPAC2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide
SMILESCc1ocnc1CNC(=O)CCl
InChIInChI=1S/C7H9ClN2O2/c1-5-6(10-4-12-5)3-9-7(11)2-8/h4H,2-3H2,1H3,(H,9,11)
InChIKeyAWVPPTILCWFXJS-UHFFFAOYSA-N
MW188.61 g/mol
LogP0.84
Rot. Bonds3

About 2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide

2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide (PubChem CID 130794359) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide
PubChem CID130794359
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide
SMILESCc1ocnc1CNC(=O)CCl
InChIInChI=1S/C7H9ClN2O2/c1-5-6(10-4-12-5)3-9-7(11)2-8/h4H,2-3H2,1H3,(H,9,11)
InChIKeyAWVPPTILCWFXJS-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
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 2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide (CID 130794359) is 2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide is Cc1ocnc1CNC(=O)CCl.
What is the InChIKey of 2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide?
The InChIKey is AWVPPTILCWFXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-5-6(10-4-12-5)3-9-7(11)2-8/h4H,2-3H2,1H3,(H,9,11).
What are the key properties of 2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide?
2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide has a molecular weight of 188.61 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide is sourced from PubChem (CID 130794359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).