2-(azidomethyl)-5-(2,4,5-trimethylphenyl)-1,3-oxazole

C13H14N4O — CID 121205140

IUPAC2-(azidomethyl)-5-(2,4,5-trimethylphenyl)-1,3-oxazole
SMILESCc1cc(C)c(-c2cnc(CN=[N+]=[N-])o2)cc1C
InChIInChI=1S/C13H14N4O/c1-8-4-10(3)11(5-9(8)2)12-6-15-13(18-12)7-16-17-14/h4-6H,7H2,1-3H3
InChIKeySWTCAJZMKKLWCQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP4.08
Rot. Bonds3

About 2-(azidomethyl)-5-(2,4,5-trimethylphenyl)-1,3-oxazole

2-(azidomethyl)-5-(2,4,5-trimethylphenyl)-1,3-oxazole (PubChem CID 121205140) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(azidomethyl)-5-(2,4,5-trimethylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(azidomethyl)-5-(2,4,5-trimethylphenyl)-1,3-oxazole
PubChem CID121205140
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-(azidomethyl)-5-(2,4,5-trimethylphenyl)-1,3-oxazole
SMILESCc1cc(C)c(-c2cnc(CN=[N+]=[N-])o2)cc1C
InChIInChI=1S/C13H14N4O/c1-8-4-10(3)11(5-9(8)2)12-6-15-13(18-12)7-16-17-14/h4-6H,7H2,1-3H3
InChIKeySWTCAJZMKKLWCQ-UHFFFAOYSA-N
XLogP4.08
TPSA74.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 54.08
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'}

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Related Compounds

2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole
CID 121205153
2-(azidomethyl)-1,3-oxazole-5-carboxylic acid
CID 118453597
2-[5-(5-tert-butyl-2-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82049649
5-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-1,3-oxazole
CID 65180226
2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3-oxazole
CID 65179613
3-[5-(5-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 82891205
N-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181259
1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65179261
2-[5-(2,4,5-trimethylphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 86246067
N-[[5-(4-fluoro-2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 113400409
N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65309183
3-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65186973

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-5-(2,4,5-trimethylphenyl)-1,3-oxazole?
The IUPAC name of 2-(azidomethyl)-5-(2,4,5-trimethylphenyl)-1,3-oxazole (CID 121205140) is 2-(azidomethyl)-5-(2,4,5-trimethylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(azidomethyl)-5-(2,4,5-trimethylphenyl)-1,3-oxazole?
The canonical SMILES for 2-(azidomethyl)-5-(2,4,5-trimethylphenyl)-1,3-oxazole is Cc1cc(C)c(-c2cnc(CN=[N+]=[N-])o2)cc1C.
What is the InChIKey of 2-(azidomethyl)-5-(2,4,5-trimethylphenyl)-1,3-oxazole?
The InChIKey is SWTCAJZMKKLWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8-4-10(3)11(5-9(8)2)12-6-15-13(18-12)7-16-17-14/h4-6H,7H2,1-3H3.
What are the key properties of 2-(azidomethyl)-5-(2,4,5-trimethylphenyl)-1,3-oxazole?
2-(azidomethyl)-5-(2,4,5-trimethylphenyl)-1,3-oxazole has a molecular weight of 242.28 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-5-(2,4,5-trimethylphenyl)-1,3-oxazole is sourced from PubChem (CID 121205140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).