4-(4-aminophenyl)-1,2-benzoxazol-3-amine

C13H11N3O — CID 24768394

IUPAC4-(4-aminophenyl)-1,2-benzoxazol-3-amine
SMILESNc1ccc(-c2cccc3onc(N)c23)cc1
InChIInChI=1S/C13H11N3O/c14-9-6-4-8(5-7-9)10-2-1-3-11-12(10)13(15)16-17-11/h1-7H,14H2,(H2,15,16)
InChIKeyRBVHBTLBKSWXCF-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.66
Rot. Bonds1

About 4-(4-aminophenyl)-1,2-benzoxazol-3-amine

4-(4-aminophenyl)-1,2-benzoxazol-3-amine (PubChem CID 24768394) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(4-aminophenyl)-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-(4-aminophenyl)-1,2-benzoxazol-3-amine
PubChem CID24768394
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name4-(4-aminophenyl)-1,2-benzoxazol-3-amine
SMILESNc1ccc(-c2cccc3onc(N)c23)cc1
InChIInChI=1S/C13H11N3O/c14-9-6-4-8(5-7-9)10-2-1-3-11-12(10)13(15)16-17-11/h1-7H,14H2,(H2,15,16)
InChIKeyRBVHBTLBKSWXCF-UHFFFAOYSA-N
XLogP2.66
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3,5-dimethylphenyl)urea
CID 69397929
1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 11463344
1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-ethylphenyl)urea
CID 174506991
1-(4-chlorophenyl)dibenzofuran;4-dibenzofuran-1-ylaniline
CID 167537928
4-(4-methylphenoxy)-1,2-benzoxazol-3-amine
CID 86079218
4-morpholin-4-yl-1,2-benzoxazol-3-amine
CID 58100992
4-(4-dibenzofuran-4-ylphenyl)aniline
CID 58510844
4-phenylmethoxy-1,2-benzoxazol-3-amine
CID 110282084
4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375
2-[(3-amino-1,2-benzoxazol-4-yl)oxy]propanoate
CID 22163461
2-[5-(4-aminophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 177381757
2-phenyl-4-(9-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741510

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-1,2-benzoxazol-3-amine?
The IUPAC name of 4-(4-aminophenyl)-1,2-benzoxazol-3-amine (CID 24768394) is 4-(4-aminophenyl)-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-(4-aminophenyl)-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-(4-aminophenyl)-1,2-benzoxazol-3-amine is Nc1ccc(-c2cccc3onc(N)c23)cc1.
What is the InChIKey of 4-(4-aminophenyl)-1,2-benzoxazol-3-amine?
The InChIKey is RBVHBTLBKSWXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-9-6-4-8(5-7-9)10-2-1-3-11-12(10)13(15)16-17-11/h1-7H,14H2,(H2,15,16).
What are the key properties of 4-(4-aminophenyl)-1,2-benzoxazol-3-amine?
4-(4-aminophenyl)-1,2-benzoxazol-3-amine has a molecular weight of 225.25 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-1,2-benzoxazol-3-amine is sourced from PubChem (CID 24768394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).