2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole

C17H15NO3 — CID 2729280

IUPAC2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
SMILESCOc1ccc(C=Cc2nc3ccccc3o2)cc1OC
InChIInChI=1S/C17H15NO3/c1-19-15-9-7-12(11-16(15)20-2)8-10-17-18-13-5-3-4-6-14(13)21-17/h3-11H,1-2H3
InChIKeyKEINZEMTKUNPNO-UHFFFAOYSA-N
MW281.31 g/mol
LogP4.02
Rot. Bonds4

About 2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole

2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole (PubChem CID 2729280) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
PubChem CID2729280
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
SMILESCOc1ccc(C=Cc2nc3ccccc3o2)cc1OC
InChIInChI=1S/C17H15NO3/c1-19-15-9-7-12(11-16(15)20-2)8-10-17-18-13-5-3-4-6-14(13)21-17/h3-11H,1-2H3
InChIKeyKEINZEMTKUNPNO-UHFFFAOYSA-N
XLogP4.02
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole
CID 18083407
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 18083405
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1,3-benzoxazole
CID 47053079
2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline
CID 5475836
2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole
CID 6213131
4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline
CID 3147188
2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole
CID 6215281
3-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethoxyphenoxy]-N,N-dipropylpropan-1-amine
CID 10181641
N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 3111005
2-[2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxy-3,1-benzoxazin-4-one
CID 54292298
(E)-3-(1,3-benzoxazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]prop-2-enamide
CID 51189008
5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 6006710

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole (CID 2729280) is 2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole is COc1ccc(C=Cc2nc3ccccc3o2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole?
The InChIKey is KEINZEMTKUNPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-19-15-9-7-12(11-16(15)20-2)8-10-17-18-13-5-3-4-6-14(13)21-17/h3-11H,1-2H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole?
2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole has a molecular weight of 281.31 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 2729280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).