2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole

C10H7ClN4O — CID 121205153

IUPAC2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole
SMILES[N-]=[N+]=NCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C10H7ClN4O/c11-8-4-2-1-3-7(8)9-5-13-10(16-9)6-14-15-12/h1-5H,6H2
InChIKeyJSHJOKZPYJHGNH-UHFFFAOYSA-N
MW234.65 g/mol
LogP3.81
Rot. Bonds3

About 2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole

2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole (PubChem CID 121205153) has the molecular formula C10H7ClN4O and a molecular weight of 234.65 g/mol. Its IUPAC name is 2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole
PubChem CID121205153
Molecular FormulaC10H7ClN4O
Molecular Weight234.65 g/mol
Exact Mass234.03
IUPAC Name2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole
SMILES[N-]=[N+]=NCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C10H7ClN4O/c11-8-4-2-1-3-7(8)9-5-13-10(16-9)6-14-15-12/h1-5H,6H2
InChIKeyJSHJOKZPYJHGNH-UHFFFAOYSA-N
XLogP3.81
TPSA74.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.65
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azidomethyl)-5-(2,4,5-trimethylphenyl)-1,3-oxazole
CID 121205140
1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride
CID 3049278
2-bromo-5-(2-chlorophenyl)-1,3-oxazole
CID 117259589
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187513
[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methanamine
CID 65179957
N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]-4-(difluoromethoxy)aniline
CID 95904187
N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-pyridin-4-ylethanamine
CID 86787323
5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole
CID 110170884
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886031
3-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl-(cyclopropylmethyl)amino]propanenitrile
CID 71866245
5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 110170883
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole?
The IUPAC name of 2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole (CID 121205153) is 2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole?
The canonical SMILES for 2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole is [N-]=[N+]=NCc1ncc(-c2ccccc2Cl)o1.
What is the InChIKey of 2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole?
The InChIKey is JSHJOKZPYJHGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O/c11-8-4-2-1-3-7(8)9-5-13-10(16-9)6-14-15-12/h1-5H,6H2.
What are the key properties of 2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole?
2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole has a molecular weight of 234.65 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole is sourced from PubChem (CID 121205153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).