2-Aminobenzoxazole

C7H6N2O — CID 20707

IUPAC1,3-benzoxazol-2-amine
SMILESC1=CC=C2C(=C1)N=C(O2)N
InChIInChI=1S/C7H6N2O/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)
InChIKeyJPBLHOJFMBOCAF-UHFFFAOYSA-N
MW134.14 g/mol
LogP1.50
Rot. Bonds

About 2-Aminobenzoxazole

2-Aminobenzoxazole (PubChem CID 20707) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name2-Aminobenzoxazole
PubChem CID20707
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name1,3-benzoxazol-2-amine
SMILESC1=CC=C2C(=C1)N=C(O2)N
InChIInChI=1S/C7H6N2O/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)
InChIKeyJPBLHOJFMBOCAF-UHFFFAOYSA-N
XLogP1.50
TPSA52.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity129

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Zoxazolamine
CID 6103
Benzoxazole
CID 9228
2-Methylbenzoxazole
CID 7225
2-Chlorobenzoxazole
CID 11986
5-Bromo-1,3-benzoxazol-2-amine
CID 46380
1-(1,3-Benzoxazol-2-yl)guanidine
CID 222552
2-(Piperazin-1-yl)-1,3-benzoxazole
CID 647818
N-phenyl-1,3-benzoxazol-2-amine
CID 243391
N-(2-chlorophenyl)-1,3-benzoxazol-2-amine
CID 714839
N-Acetyl-N'-(5-methyl-benzooxazol-2-yl)-guanidine
CID 5762132
5-Methoxy-1,3-benzoxazol-2-amine
CID 46387
Benzoxazole, 2-ethyl-
CID 23239

Frequently Asked Questions

What is the IUPAC name of 2-Aminobenzoxazole?
The IUPAC name of 2-Aminobenzoxazole (CID 20707) is 1,3-benzoxazol-2-amine.
What is the SMILES notation for 2-Aminobenzoxazole?
The canonical SMILES for 2-Aminobenzoxazole is C1=CC=C2C(=C1)N=C(O2)N.
What is the InChIKey of 2-Aminobenzoxazole?
The InChIKey is JPBLHOJFMBOCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9).
What are the key properties of 2-Aminobenzoxazole?
2-Aminobenzoxazole has a molecular weight of 134.14 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Aminobenzoxazole is sourced from PubChem (CID 20707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).