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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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).