2-(2-phenylethenyl)benzo[e][1,3]benzoxazole;thiophene

C23H17NOS — CID 175372114

IUPAC2-(2-phenylethenyl)benzo[e][1,3]benzoxazole;thiophene
SMILESC(=Cc1nc2c(ccc3ccccc32)o1)c1ccccc1.c1ccsc1
InChIInChI=1S/C19H13NO.C4H4S/c1-2-6-14(7-3-1)10-13-18-20-19-16-9-5-4-8-15(16)11-12-17(19)21-18;1-2-4-5-3-1/h1-13H;1-4H
InChIKeyDSABWOXKPLZBOG-UHFFFAOYSA-N
MW355.46 g/mol
LogP6.90
Rot. Bonds2

About 2-(2-phenylethenyl)benzo[e][1,3]benzoxazole;thiophene

2-(2-phenylethenyl)benzo[e][1,3]benzoxazole;thiophene (PubChem CID 175372114) has the molecular formula C23H17NOS and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(2-phenylethenyl)benzo[e][1,3]benzoxazole;thiophene.

Molecular Properties

Compound Name2-(2-phenylethenyl)benzo[e][1,3]benzoxazole;thiophene
PubChem CID175372114
Molecular FormulaC23H17NOS
Molecular Weight355.46 g/mol
Exact Mass355.10
IUPAC Name2-(2-phenylethenyl)benzo[e][1,3]benzoxazole;thiophene
SMILESC(=Cc1nc2c(ccc3ccccc32)o1)c1ccccc1.c1ccsc1
InChIInChI=1S/C19H13NO.C4H4S/c1-2-6-14(7-3-1)10-13-18-20-19-16-9-5-4-8-15(16)11-12-17(19)21-18;1-2-4-5-3-1/h1-13H;1-4H
InChIKeyDSABWOXKPLZBOG-UHFFFAOYSA-N
XLogP6.90
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.46
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline
CID 127259737
2-[(E,3E)-3-(3-methyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]benzo[e][1,3]benzoxazole
CID 135469617
5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole
CID 95479673
5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
CID 6139123
3-oxobenzo[f][1,4]benzoxazine-2-carbonitrile
CID 72723209
2-fluoroethenylbenzene;thiophene
CID 159071308
5,8-dichloro-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one
CID 134096982
2-[2-(4-methylphenyl)ethenyl]-1,3-benzoxazin-4-one
CID 4885938
bis(2-benzo[e][1,3]benzoxazol-2-ylphenol);palladium
CID 139246627
3-[(Z)-2-phenylethenyl]chrysene
CID 14241298
2-(benzo[e][1,3]benzoxazole-2-carbonyl)benzoic acid
CID 15418384

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenyl)benzo[e][1,3]benzoxazole;thiophene?
The IUPAC name of 2-(2-phenylethenyl)benzo[e][1,3]benzoxazole;thiophene (CID 175372114) is 2-(2-phenylethenyl)benzo[e][1,3]benzoxazole;thiophene.
What is the SMILES notation for 2-(2-phenylethenyl)benzo[e][1,3]benzoxazole;thiophene?
The canonical SMILES for 2-(2-phenylethenyl)benzo[e][1,3]benzoxazole;thiophene is C(=Cc1nc2c(ccc3ccccc32)o1)c1ccccc1.c1ccsc1.
What is the InChIKey of 2-(2-phenylethenyl)benzo[e][1,3]benzoxazole;thiophene?
The InChIKey is DSABWOXKPLZBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO.C4H4S/c1-2-6-14(7-3-1)10-13-18-20-19-16-9-5-4-8-15(16)11-12-17(19)21-18;1-2-4-5-3-1/h1-13H;1-4H.
What are the key properties of 2-(2-phenylethenyl)benzo[e][1,3]benzoxazole;thiophene?
2-(2-phenylethenyl)benzo[e][1,3]benzoxazole;thiophene has a molecular weight of 355.46 g/mol, XLogP of 6.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenyl)benzo[e][1,3]benzoxazole;thiophene is sourced from PubChem (CID 175372114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).