4-phenyl-1,3-benzoxazol-2-amine

C13H10N2O — CID 70467238

IUPAC4-phenyl-1,3-benzoxazol-2-amine
SMILESNc1nc2c(-c3ccccc3)cccc2o1
InChIInChI=1S/C13H10N2O/c14-13-15-12-10(7-4-8-11(12)16-13)9-5-2-1-3-6-9/h1-8H,(H2,14,15)
InChIKeyCYIGXYXLKHPUTF-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.08
Rot. Bonds1

About 4-phenyl-1,3-benzoxazol-2-amine

4-phenyl-1,3-benzoxazol-2-amine (PubChem CID 70467238) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-phenyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name4-phenyl-1,3-benzoxazol-2-amine
PubChem CID70467238
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name4-phenyl-1,3-benzoxazol-2-amine
SMILESNc1nc2c(-c3ccccc3)cccc2o1
InChIInChI=1S/C13H10N2O/c14-13-15-12-10(7-4-8-11(12)16-13)9-5-2-1-3-6-9/h1-8H,(H2,14,15)
InChIKeyCYIGXYXLKHPUTF-UHFFFAOYSA-N
XLogP3.08
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-phenyl-1,3-benzoxazole
CID 177085826
4-[4-[2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]phenyl]benzonitrile
CID 175190264
4-phenyl-2-[2-[(E)-2-phenylethenyl]phenyl]-1,3-benzoxazole
CID 22377866
2-[2-(2-aminophenyl)-1,3-benzoxazol-4-yl]aniline
CID 19876178
4-phenyl-2-(4-pyridin-2-ylbut-3-ynyl)-1,3-benzoxazole
CID 66598166
2-phenyl-4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 147571210
2-[2-(4-chlorophenyl)-1,3-benzoxazol-4-yl]aniline
CID 146670605
4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-1,3-benzoxazole
CID 163850421
2-phenyl-4-(9-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741510
2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol
CID 135975699
2,4-di(dibenzofuran-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 163620133
2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol
CID 135749803

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,3-benzoxazol-2-amine?
The IUPAC name of 4-phenyl-1,3-benzoxazol-2-amine (CID 70467238) is 4-phenyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 4-phenyl-1,3-benzoxazol-2-amine?
The canonical SMILES for 4-phenyl-1,3-benzoxazol-2-amine is Nc1nc2c(-c3ccccc3)cccc2o1.
What is the InChIKey of 4-phenyl-1,3-benzoxazol-2-amine?
The InChIKey is CYIGXYXLKHPUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c14-13-15-12-10(7-4-8-11(12)16-13)9-5-2-1-3-6-9/h1-8H,(H2,14,15).
What are the key properties of 4-phenyl-1,3-benzoxazol-2-amine?
4-phenyl-1,3-benzoxazol-2-amine has a molecular weight of 210.24 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70467238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).