2-[2-(2-aminophenyl)-1,3-benzoxazol-4-yl]aniline

C19H15N3O — CID 19876178

IUPAC2-[2-(2-aminophenyl)-1,3-benzoxazol-4-yl]aniline
SMILESNc1ccccc1-c1nc2c(-c3ccccc3N)cccc2o1
InChIInChI=1S/C19H15N3O/c20-15-9-3-1-6-12(15)13-8-5-11-17-18(13)22-19(23-17)14-7-2-4-10-16(14)21/h1-11H,20-21H2
InChIKeyDMXKYQBYNXZKME-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.33
Rot. Bonds2

About 2-[2-(2-aminophenyl)-1,3-benzoxazol-4-yl]aniline

2-[2-(2-aminophenyl)-1,3-benzoxazol-4-yl]aniline (PubChem CID 19876178) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[2-(2-aminophenyl)-1,3-benzoxazol-4-yl]aniline.

Molecular Properties

Compound Name2-[2-(2-aminophenyl)-1,3-benzoxazol-4-yl]aniline
PubChem CID19876178
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name2-[2-(2-aminophenyl)-1,3-benzoxazol-4-yl]aniline
SMILESNc1ccccc1-c1nc2c(-c3ccccc3N)cccc2o1
InChIInChI=1S/C19H15N3O/c20-15-9-3-1-6-12(15)13-8-5-11-17-18(13)22-19(23-17)14-7-2-4-10-16(14)21/h1-11H,20-21H2
InChIKeyDMXKYQBYNXZKME-UHFFFAOYSA-N
XLogP4.33
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminophenyl)-1,3-benzoxazol-4-yl]aniline?
The IUPAC name of 2-[2-(2-aminophenyl)-1,3-benzoxazol-4-yl]aniline (CID 19876178) is 2-[2-(2-aminophenyl)-1,3-benzoxazol-4-yl]aniline.
What is the SMILES notation for 2-[2-(2-aminophenyl)-1,3-benzoxazol-4-yl]aniline?
The canonical SMILES for 2-[2-(2-aminophenyl)-1,3-benzoxazol-4-yl]aniline is Nc1ccccc1-c1nc2c(-c3ccccc3N)cccc2o1.
What is the InChIKey of 2-[2-(2-aminophenyl)-1,3-benzoxazol-4-yl]aniline?
The InChIKey is DMXKYQBYNXZKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c20-15-9-3-1-6-12(15)13-8-5-11-17-18(13)22-19(23-17)14-7-2-4-10-16(14)21/h1-11H,20-21H2.
What are the key properties of 2-[2-(2-aminophenyl)-1,3-benzoxazol-4-yl]aniline?
2-[2-(2-aminophenyl)-1,3-benzoxazol-4-yl]aniline has a molecular weight of 301.35 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminophenyl)-1,3-benzoxazol-4-yl]aniline is sourced from PubChem (CID 19876178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).