N-[3-(1,3-benzoxazol-5-yl)phenyl]dibenzofuran-3-amine

C25H16N2O2 — CID 166917991

IUPACN-[3-(1,3-benzoxazol-5-yl)phenyl]dibenzofuran-3-amine
SMILESc1cc(Nc2ccc3c(c2)oc2ccccc23)cc(-c2ccc3ocnc3c2)c1
InChIInChI=1S/C25H16N2O2/c1-2-7-23-20(6-1)21-10-9-19(14-25(21)29-23)27-18-5-3-4-16(12-18)17-8-11-24-22(13-17)26-15-28-24/h1-15,27H
InChIKeyNQKHYWSZVMAXFO-UHFFFAOYSA-N
MW376.42 g/mol
LogP7.14
Rot. Bonds3

About N-[3-(1,3-benzoxazol-5-yl)phenyl]dibenzofuran-3-amine

N-[3-(1,3-benzoxazol-5-yl)phenyl]dibenzofuran-3-amine (PubChem CID 166917991) has the molecular formula C25H16N2O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-5-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-5-yl)phenyl]dibenzofuran-3-amine
PubChem CID166917991
Molecular FormulaC25H16N2O2
Molecular Weight376.42 g/mol
Exact Mass376.12
IUPAC NameN-[3-(1,3-benzoxazol-5-yl)phenyl]dibenzofuran-3-amine
SMILESc1cc(Nc2ccc3c(c2)oc2ccccc23)cc(-c2ccc3ocnc3c2)c1
InChIInChI=1S/C25H16N2O2/c1-2-7-23-20(6-1)21-10-9-19(14-25(21)29-23)27-18-5-3-4-16(12-18)17-8-11-24-22(13-17)26-15-28-24/h1-15,27H
InChIKeyNQKHYWSZVMAXFO-UHFFFAOYSA-N
XLogP7.14
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.42
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-2-yldibenzofuran-3-amine;ethane
CID 145077285
N-dibenzofuran-3-yl-9-phenanthren-3-yldibenzofuran-2-amine
CID 169315832
N-(3-dibenzofuran-2-ylphenyl)-2-phenylaniline
CID 121360316
2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline
CID 118534074
N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163590855
N,9-diphenyldibenzofuran-3-amine
CID 156790002
6-[3-(3-triphenylen-2-ylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 163594432
3-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118231138
8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176759717
N-(4-propan-2-ylphenyl)dibenzofuran-3-amine
CID 130195251
4-(3-dibenzofuran-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 129086279
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-5-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-[3-(1,3-benzoxazol-5-yl)phenyl]dibenzofuran-3-amine (CID 166917991) is N-[3-(1,3-benzoxazol-5-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-[3-(1,3-benzoxazol-5-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-[3-(1,3-benzoxazol-5-yl)phenyl]dibenzofuran-3-amine is c1cc(Nc2ccc3c(c2)oc2ccccc23)cc(-c2ccc3ocnc3c2)c1.
What is the InChIKey of N-[3-(1,3-benzoxazol-5-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is NQKHYWSZVMAXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O2/c1-2-7-23-20(6-1)21-10-9-19(14-25(21)29-23)27-18-5-3-4-16(12-18)17-8-11-24-22(13-17)26-15-28-24/h1-15,27H.
What are the key properties of N-[3-(1,3-benzoxazol-5-yl)phenyl]dibenzofuran-3-amine?
N-[3-(1,3-benzoxazol-5-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 376.42 g/mol, XLogP of 7.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-5-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 166917991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).