2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole

C16H13NO2 — CID 18083407

IUPAC2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole
SMILESCOc1cccc(/C=C/c2nc3ccccc3o2)c1
InChIInChI=1S/C16H13NO2/c1-18-13-6-4-5-12(11-13)9-10-16-17-14-7-2-3-8-15(14)19-16/h2-11H,1H3/b10-9+
InChIKeyXSKCIWQNRUZALQ-MDZDMXLPSA-N
MW251.29 g/mol
LogP4.01
Rot. Bonds3

About 2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole

2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole (PubChem CID 18083407) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole
PubChem CID18083407
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole
SMILESCOc1cccc(/C=C/c2nc3ccccc3o2)c1
InChIInChI=1S/C16H13NO2/c1-18-13-6-4-5-12(11-13)9-10-16-17-14-7-2-3-8-15(14)19-16/h2-11H,1H3/b10-9+
InChIKeyXSKCIWQNRUZALQ-MDZDMXLPSA-N
XLogP4.01
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole
CID 6213131
2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 2729280
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 18083405
2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 5240283
4-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethylphenol
CID 136810517
5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 52643423
2-[2-[3,5,6-tris[2-(1,3-benzoxazol-2-yl)ethenyl]pyrazin-2-yl]ethenyl]-1,3-benzoxazole
CID 57286159
2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole
CID 6215281
4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline
CID 3147188
(E)-3-(1,3-benzoxazol-2-yl)-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 17413045
(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-methoxyphenyl)prop-2-enoate
CID 8705642
5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole
CID 95479673

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole?
The IUPAC name of 2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole (CID 18083407) is 2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole is COc1cccc(/C=C/c2nc3ccccc3o2)c1.
What is the InChIKey of 2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole?
The InChIKey is XSKCIWQNRUZALQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H13NO2/c1-18-13-6-4-5-12(11-13)9-10-16-17-14-7-2-3-8-15(14)19-16/h2-11H,1H3/b10-9+.
What are the key properties of 2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole?
2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole has a molecular weight of 251.29 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 18083407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).