(4-benzo[f][1,3]benzoxazol-2-ylphenyl)methanamine

C18H14N2O — CID 130449908

IUPAC(4-benzo[f][1,3]benzoxazol-2-ylphenyl)methanamine
SMILESNCc1ccc(-c2nc3cc4ccccc4cc3o2)cc1
InChIInChI=1S/C18H14N2O/c19-11-12-5-7-13(8-6-12)18-20-16-9-14-3-1-2-4-15(14)10-17(16)21-18/h1-10H,11,19H2
InChIKeyPCQUMKZLVXUAMT-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.11
Rot. Bonds2

About (4-benzo[f][1,3]benzoxazol-2-ylphenyl)methanamine

(4-benzo[f][1,3]benzoxazol-2-ylphenyl)methanamine (PubChem CID 130449908) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is (4-benzo[f][1,3]benzoxazol-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(4-benzo[f][1,3]benzoxazol-2-ylphenyl)methanamine
PubChem CID130449908
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name(4-benzo[f][1,3]benzoxazol-2-ylphenyl)methanamine
SMILESNCc1ccc(-c2nc3cc4ccccc4cc3o2)cc1
InChIInChI=1S/C18H14N2O/c19-11-12-5-7-13(8-6-12)18-20-16-9-14-3-1-2-4-15(14)10-17(16)21-18/h1-10H,11,19H2
InChIKeyPCQUMKZLVXUAMT-UHFFFAOYSA-N
XLogP4.11
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-bis(4-naphthalen-1-ylphenyl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 169314088
N,N-bis(4-benzo[f][1,3]benzoxazol-2-ylphenyl)-4-(1,3-benzoxazol-2-yl)aniline
CID 163542114
[4-(5-methylsulfonyl-1,3-benzoxazol-2-yl)phenyl]methanamine
CID 81422815
[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine
CID 82357703
[2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine
CID 82357445
[3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)phenyl]methanamine
CID 82719724
2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
CID 43665734
4-[5-[[2-(4-aminophenyl)-1,3-benzoxazol-5-yl]methyl]-1,3-benzoxazol-2-yl]aniline
CID 1160387
2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole
CID 95910929
2-[4-(bromomethyl)phenyl]-5-phenyl-1,3-benzoxazole
CID 50850862
4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
CID 143547585
6-naphthalen-2-yl-N,N-bis(4-naphtho[2,1-f][1,3]benzoxazol-9-ylphenyl)naphthalen-2-amine
CID 164939320

Frequently Asked Questions

What is the IUPAC name of (4-benzo[f][1,3]benzoxazol-2-ylphenyl)methanamine?
The IUPAC name of (4-benzo[f][1,3]benzoxazol-2-ylphenyl)methanamine (CID 130449908) is (4-benzo[f][1,3]benzoxazol-2-ylphenyl)methanamine.
What is the SMILES notation for (4-benzo[f][1,3]benzoxazol-2-ylphenyl)methanamine?
The canonical SMILES for (4-benzo[f][1,3]benzoxazol-2-ylphenyl)methanamine is NCc1ccc(-c2nc3cc4ccccc4cc3o2)cc1.
What is the InChIKey of (4-benzo[f][1,3]benzoxazol-2-ylphenyl)methanamine?
The InChIKey is PCQUMKZLVXUAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c19-11-12-5-7-13(8-6-12)18-20-16-9-14-3-1-2-4-15(14)10-17(16)21-18/h1-10H,11,19H2.
What are the key properties of (4-benzo[f][1,3]benzoxazol-2-ylphenyl)methanamine?
(4-benzo[f][1,3]benzoxazol-2-ylphenyl)methanamine has a molecular weight of 274.32 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzo[f][1,3]benzoxazol-2-ylphenyl)methanamine is sourced from PubChem (CID 130449908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).