N-(4-phenylphenyl)-1,2-benzoxazol-3-amine

C19H14N2O — CID 45484855

IUPACN-(4-phenylphenyl)-1,2-benzoxazol-3-amine
SMILESc1ccc(-c2ccc(Nc3noc4ccccc34)cc2)cc1
InChIInChI=1S/C19H14N2O/c1-2-6-14(7-3-1)15-10-12-16(13-11-15)20-19-17-8-4-5-9-18(17)22-21-19/h1-13H,(H,20,21)
InChIKeyBKHHQJRHPIBTJZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP5.24
Rot. Bonds3

About N-(4-phenylphenyl)-1,2-benzoxazol-3-amine

N-(4-phenylphenyl)-1,2-benzoxazol-3-amine (PubChem CID 45484855) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(4-phenylphenyl)-1,2-benzoxazol-3-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-1,2-benzoxazol-3-amine
PubChem CID45484855
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC NameN-(4-phenylphenyl)-1,2-benzoxazol-3-amine
SMILESc1ccc(-c2ccc(Nc3noc4ccccc34)cc2)cc1
InChIInChI=1S/C19H14N2O/c1-2-6-14(7-3-1)15-10-12-16(13-11-15)20-19-17-8-4-5-9-18(17)22-21-19/h1-13H,(H,20,21)
InChIKeyBKHHQJRHPIBTJZ-UHFFFAOYSA-N
XLogP5.24
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.33
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-methylphenyl)urea
CID 9928737
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-(4-methylphenyl)urea
CID 11152545
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]urea
CID 11235290
n-[4-(3-Amino-1,2-benzisoxazol-4-yl)phenyl]urea
CID 11265647
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-fluorophenyl)urea
CID 11268446
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-(3,5-difluorophenyl)urea
CID 11280431
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 11304968
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-(4-fluorophenyl)urea
CID 11325920
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]urea
CID 11327388
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-(2-fluorophenyl)urea
CID 11337407
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-bromophenyl)urea
CID 11373591
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)urea
CID 11406239

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-1,2-benzoxazol-3-amine?
The IUPAC name of N-(4-phenylphenyl)-1,2-benzoxazol-3-amine (CID 45484855) is N-(4-phenylphenyl)-1,2-benzoxazol-3-amine.
What is the SMILES notation for N-(4-phenylphenyl)-1,2-benzoxazol-3-amine?
The canonical SMILES for N-(4-phenylphenyl)-1,2-benzoxazol-3-amine is c1ccc(-c2ccc(Nc3noc4ccccc34)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-1,2-benzoxazol-3-amine?
The InChIKey is BKHHQJRHPIBTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c1-2-6-14(7-3-1)15-10-12-16(13-11-15)20-19-17-8-4-5-9-18(17)22-21-19/h1-13H,(H,20,21).
What are the key properties of N-(4-phenylphenyl)-1,2-benzoxazol-3-amine?
N-(4-phenylphenyl)-1,2-benzoxazol-3-amine has a molecular weight of 286.33 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-1,2-benzoxazol-3-amine is sourced from PubChem (CID 45484855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).