2-amino-1-(2-chloro-1,3-oxazol-5-yl)propan-1-one

C6H7ClN2O2 — CID 84655052

IUPAC2-amino-1-(2-chloro-1,3-oxazol-5-yl)propan-1-one
SMILESCC(N)C(=O)c1cnc(Cl)o1
InChIInChI=1S/C6H7ClN2O2/c1-3(8)5(10)4-2-9-6(7)11-4/h2-3H,8H2,1H3
InChIKeyXINXQUZITQJGMN-UHFFFAOYSA-N
MW174.59 g/mol
LogP0.86
Rot. Bonds2

About 2-amino-1-(2-chloro-1,3-oxazol-5-yl)propan-1-one

2-amino-1-(2-chloro-1,3-oxazol-5-yl)propan-1-one (PubChem CID 84655052) has the molecular formula C6H7ClN2O2 and a molecular weight of 174.59 g/mol. Its IUPAC name is 2-amino-1-(2-chloro-1,3-oxazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-chloro-1,3-oxazol-5-yl)propan-1-one
PubChem CID84655052
Molecular FormulaC6H7ClN2O2
Molecular Weight174.59 g/mol
Exact Mass174.02
IUPAC Name2-amino-1-(2-chloro-1,3-oxazol-5-yl)propan-1-one
SMILESCC(N)C(=O)c1cnc(Cl)o1
InChIInChI=1S/C6H7ClN2O2/c1-3(8)5(10)4-2-9-6(7)11-4/h2-3H,8H2,1H3
InChIKeyXINXQUZITQJGMN-UHFFFAOYSA-N
XLogP0.86
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(2-chloro-1,3-oxazol-5-yl)propan-1-one 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 2-amino-1-(2-chloro-1,3-oxazol-5-yl)propan-1-one?
The IUPAC name of 2-amino-1-(2-chloro-1,3-oxazol-5-yl)propan-1-one (CID 84655052) is 2-amino-1-(2-chloro-1,3-oxazol-5-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2-chloro-1,3-oxazol-5-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(2-chloro-1,3-oxazol-5-yl)propan-1-one is CC(N)C(=O)c1cnc(Cl)o1.
What is the InChIKey of 2-amino-1-(2-chloro-1,3-oxazol-5-yl)propan-1-one?
The InChIKey is XINXQUZITQJGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2/c1-3(8)5(10)4-2-9-6(7)11-4/h2-3H,8H2,1H3.
What are the key properties of 2-amino-1-(2-chloro-1,3-oxazol-5-yl)propan-1-one?
2-amino-1-(2-chloro-1,3-oxazol-5-yl)propan-1-one has a molecular weight of 174.59 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-chloro-1,3-oxazol-5-yl)propan-1-one is sourced from PubChem (CID 84655052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).