2-[(E)-2-phenylethenyl]-5-pyridin-3-yl-1,3-benzoxazole

C20H14N2O — CID 23025902

IUPAC2-[(E)-2-phenylethenyl]-5-pyridin-3-yl-1,3-benzoxazole
SMILESC(=C/c1nc2cc(-c3cccnc3)ccc2o1)\c1ccccc1
InChIInChI=1S/C20H14N2O/c1-2-5-15(6-3-1)8-11-20-22-18-13-16(9-10-19(18)23-20)17-7-4-12-21-14-17/h1-14H/b11-8+
InChIKeyBXGMBOMUJDXZOP-DHZHZOJOSA-N
MW298.35 g/mol
LogP5.06
Rot. Bonds3

About 2-[(E)-2-phenylethenyl]-5-pyridin-3-yl-1,3-benzoxazole

2-[(E)-2-phenylethenyl]-5-pyridin-3-yl-1,3-benzoxazole (PubChem CID 23025902) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-5-pyridin-3-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-5-pyridin-3-yl-1,3-benzoxazole
PubChem CID23025902
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name2-[(E)-2-phenylethenyl]-5-pyridin-3-yl-1,3-benzoxazole
SMILESC(=C/c1nc2cc(-c3cccnc3)ccc2o1)\c1ccccc1
InChIInChI=1S/C20H14N2O/c1-2-5-15(6-3-1)8-11-20-22-18-13-16(9-10-19(18)23-20)17-7-4-12-21-14-17/h1-14H/b11-8+
InChIKeyBXGMBOMUJDXZOP-DHZHZOJOSA-N
XLogP5.06
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.35
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
CID 6139123
2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 5240283
2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 4222558
2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 3914706
N,N-dimethyl-4-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]aniline
CID 3723624
5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole
CID 95479673
N-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]acetamide
CID 8860520
5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 6006710
2-[(E)-2-(2-nitrophenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 16554443
N-methyl-2-nitro-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]aniline
CID 22829716
5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
CID 14876248
5-bromo-2-[2-[4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
CID 59970333

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-5-pyridin-3-yl-1,3-benzoxazole?
The IUPAC name of 2-[(E)-2-phenylethenyl]-5-pyridin-3-yl-1,3-benzoxazole (CID 23025902) is 2-[(E)-2-phenylethenyl]-5-pyridin-3-yl-1,3-benzoxazole.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-5-pyridin-3-yl-1,3-benzoxazole?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-5-pyridin-3-yl-1,3-benzoxazole is C(=C/c1nc2cc(-c3cccnc3)ccc2o1)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-5-pyridin-3-yl-1,3-benzoxazole?
The InChIKey is BXGMBOMUJDXZOP-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H14N2O/c1-2-5-15(6-3-1)8-11-20-22-18-13-16(9-10-19(18)23-20)17-7-4-12-21-14-17/h1-14H/b11-8+.
What are the key properties of 2-[(E)-2-phenylethenyl]-5-pyridin-3-yl-1,3-benzoxazole?
2-[(E)-2-phenylethenyl]-5-pyridin-3-yl-1,3-benzoxazole has a molecular weight of 298.35 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-5-pyridin-3-yl-1,3-benzoxazole is sourced from PubChem (CID 23025902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).