N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline

C19H14N2O — CID 127259737

IUPACN-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline
SMILESC(=C/c1nc2c(ccc3ccccc32)o1)\Nc1ccccc1
InChIInChI=1S/C19H14N2O/c1-2-7-15(8-3-1)20-13-12-18-21-19-16-9-5-4-6-14(16)10-11-17(19)22-18/h1-13,20H/b13-12+
InChIKeyOBFTUPUCVFDBSA-OUKQBFOZSA-N
MW286.33 g/mol
LogP5.06
Rot. Bonds3

About N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline

N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline (PubChem CID 127259737) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline.

Molecular Properties

Compound NameN-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline
PubChem CID127259737
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC NameN-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline
SMILESC(=C/c1nc2c(ccc3ccccc32)o1)\Nc1ccccc1
InChIInChI=1S/C19H14N2O/c1-2-7-15(8-3-1)20-13-12-18-21-19-16-9-5-4-6-14(16)10-11-17(19)22-18/h1-13,20H/b13-12+
InChIKeyOBFTUPUCVFDBSA-OUKQBFOZSA-N
XLogP5.06
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 ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenylethenyl)benzo[e][1,3]benzoxazole;thiophene
CID 175372114
2-(4-tert-butylphenyl)-5-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[(Z)-2-phenylethenyl]benzo[e][1,3]benzoxazole
CID 157060082
3-oxobenzo[f][1,4]benzoxazine-2-carbonitrile
CID 72723209
2-[(E,3E)-3-(3-methyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]benzo[e][1,3]benzoxazole
CID 135469617
N-[(E)-2-(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)ethenyl]aniline;perchloric acid
CID 126960827
methyl benzo[e][1,3]benzoxazole-2-carboxylate
CID 83387453
bis(2-benzo[e][1,3]benzoxazol-2-ylphenol);palladium
CID 139246627
2-(benzo[e][1,3]benzoxazole-2-carbonyl)benzoic acid
CID 15418384
N-phenyl-11-oxa-13,15,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-14-amine
CID 14198963
2-pyren-1-ylbenzo[e][1,3]benzoxazole
CID 71545071
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide
CID 3314222
N-(2-quinolin-4-ylethenyl)aniline
CID 154091983

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline?
The IUPAC name of N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline (CID 127259737) is N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline.
What is the SMILES notation for N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline?
The canonical SMILES for N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline is C(=C/c1nc2c(ccc3ccccc32)o1)\Nc1ccccc1.
What is the InChIKey of N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline?
The InChIKey is OBFTUPUCVFDBSA-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H14N2O/c1-2-7-15(8-3-1)20-13-12-18-21-19-16-9-5-4-6-14(16)10-11-17(19)22-18/h1-13,20H/b13-12+.
What are the key properties of N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline?
N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline has a molecular weight of 286.33 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline is sourced from PubChem (CID 127259737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).