2-(5-methyl-1,3-oxazol-2-yl)-1,3-benzoxazol-6-amine

C11H9N3O2 — CID 96611710

IUPAC2-(5-methyl-1,3-oxazol-2-yl)-1,3-benzoxazol-6-amine
SMILESCc1cnc(-c2nc3ccc(N)cc3o2)o1
InChIInChI=1S/C11H9N3O2/c1-6-5-13-10(15-6)11-14-8-3-2-7(12)4-9(8)16-11/h2-5H,12H2,1H3
InChIKeyJKZZKWFPLUHNJQ-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.37
Rot. Bonds1

About 2-(5-methyl-1,3-oxazol-2-yl)-1,3-benzoxazol-6-amine

2-(5-methyl-1,3-oxazol-2-yl)-1,3-benzoxazol-6-amine (PubChem CID 96611710) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-(5-methyl-1,3-oxazol-2-yl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-(5-methyl-1,3-oxazol-2-yl)-1,3-benzoxazol-6-amine
PubChem CID96611710
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name2-(5-methyl-1,3-oxazol-2-yl)-1,3-benzoxazol-6-amine
SMILESCc1cnc(-c2nc3ccc(N)cc3o2)o1
InChIInChI=1S/C11H9N3O2/c1-6-5-13-10(15-6)11-14-8-3-2-7(12)4-9(8)16-11/h2-5H,12H2,1H3
InChIKeyJKZZKWFPLUHNJQ-UHFFFAOYSA-N
XLogP2.37
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenyl)-1,3-benzoxazol-6-amine
CID 6457922
2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazol-6-amine
CID 65199108
2-(4-methylthiophen-3-yl)-1,3-benzoxazol-6-amine
CID 79802029
2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-6-amine
CID 66120071
2-(furan-2-yl)-1,3-benzoxazol-6-amine
CID 43117917
4-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylaniline
CID 63675808
2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine
CID 28932063
3-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline
CID 82469943
2-(1-methylpyridin-1-ium-3-yl)-1,3-benzoxazol-6-amine
CID 100817959
2-tert-butyl-1,3-benzoxazol-6-amine
CID 39112039
2-(5-chlorothiophen-2-yl)-1,3-benzoxazol-6-amine
CID 62276683
2-(5-bromo-2-pyridinyl)-1,3-benzoxazol-5-amine
CID 55154764

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-oxazol-2-yl)-1,3-benzoxazol-6-amine?
The IUPAC name of 2-(5-methyl-1,3-oxazol-2-yl)-1,3-benzoxazol-6-amine (CID 96611710) is 2-(5-methyl-1,3-oxazol-2-yl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-(5-methyl-1,3-oxazol-2-yl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-(5-methyl-1,3-oxazol-2-yl)-1,3-benzoxazol-6-amine is Cc1cnc(-c2nc3ccc(N)cc3o2)o1.
What is the InChIKey of 2-(5-methyl-1,3-oxazol-2-yl)-1,3-benzoxazol-6-amine?
The InChIKey is JKZZKWFPLUHNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-6-5-13-10(15-6)11-14-8-3-2-7(12)4-9(8)16-11/h2-5H,12H2,1H3.
What are the key properties of 2-(5-methyl-1,3-oxazol-2-yl)-1,3-benzoxazol-6-amine?
2-(5-methyl-1,3-oxazol-2-yl)-1,3-benzoxazol-6-amine has a molecular weight of 215.21 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-oxazol-2-yl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 96611710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).