4-(5-phenyl-1,3-benzoxazol-2-yl)aniline

C19H14N2O — CID 3933123

IUPAC4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
SMILESNc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1
InChIInChI=1S/C19H14N2O/c20-16-9-6-14(7-10-16)19-21-17-12-15(8-11-18(17)22-19)13-4-2-1-3-5-13/h1-12H,20H2
InChIKeyKVOKKKTWVOCLGO-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.74
Rot. Bonds2

About 4-(5-phenyl-1,3-benzoxazol-2-yl)aniline

4-(5-phenyl-1,3-benzoxazol-2-yl)aniline (PubChem CID 3933123) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(5-phenyl-1,3-benzoxazol-2-yl)aniline.

Molecular Properties

Compound Name4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
PubChem CID3933123
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
SMILESNc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1
InChIInChI=1S/C19H14N2O/c20-16-9-6-14(7-10-16)19-21-17-12-15(8-11-18(17)22-19)13-4-2-1-3-5-13/h1-12H,20H2
InChIKeyKVOKKKTWVOCLGO-UHFFFAOYSA-N
XLogP4.74
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]aniline
CID 67334689
3-bromo-4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 95910793
2-methyl-5-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 10266812
2-[4-(bromomethyl)phenyl]-5-phenyl-1,3-benzoxazole
CID 50850862
2-(3,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole
CID 91678574
4-[5-[[2-(4-aminophenyl)-1,3-benzoxazol-5-yl]methyl]-1,3-benzoxazol-2-yl]aniline
CID 1160387
2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazol-6-amine
CID 163575240
5-phenyl-2-pyridin-2-yl-1,3-benzoxazole
CID 132598032
N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine
CID 153395125
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681641
5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 170681699
4-(5-amino-1,3-benzoxazol-2-yl)benzoic acid
CID 45361799

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-1,3-benzoxazol-2-yl)aniline?
The IUPAC name of 4-(5-phenyl-1,3-benzoxazol-2-yl)aniline (CID 3933123) is 4-(5-phenyl-1,3-benzoxazol-2-yl)aniline.
What is the SMILES notation for 4-(5-phenyl-1,3-benzoxazol-2-yl)aniline?
The canonical SMILES for 4-(5-phenyl-1,3-benzoxazol-2-yl)aniline is Nc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1.
What is the InChIKey of 4-(5-phenyl-1,3-benzoxazol-2-yl)aniline?
The InChIKey is KVOKKKTWVOCLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c20-16-9-6-14(7-10-16)19-21-17-12-15(8-11-18(17)22-19)13-4-2-1-3-5-13/h1-12H,20H2.
What are the key properties of 4-(5-phenyl-1,3-benzoxazol-2-yl)aniline?
4-(5-phenyl-1,3-benzoxazol-2-yl)aniline has a molecular weight of 286.33 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-1,3-benzoxazol-2-yl)aniline is sourced from PubChem (CID 3933123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).