2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1,3-benzoxazole

C17H15NO3 — CID 47053079

IUPAC2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1,3-benzoxazole
SMILESC/C=C/c1ccc(Oc2nc3ccccc3o2)c(OC)c1
InChIInChI=1S/C17H15NO3/c1-3-6-12-9-10-15(16(11-12)19-2)21-17-18-13-7-4-5-8-14(13)20-17/h3-11H,1-2H3/b6-3+
InChIKeyGAYNSUUYCNIOIK-ZZXKWVIFSA-N
MW281.31 g/mol
LogP4.66
Rot. Bonds4

About 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1,3-benzoxazole

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1,3-benzoxazole (PubChem CID 47053079) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1,3-benzoxazole
PubChem CID47053079
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1,3-benzoxazole
SMILESC/C=C/c1ccc(Oc2nc3ccccc3o2)c(OC)c1
InChIInChI=1S/C17H15NO3/c1-3-6-12-9-10-15(16(11-12)19-2)21-17-18-13-7-4-5-8-14(13)20-17/h3-11H,1-2H3/b6-3+
InChIKeyGAYNSUUYCNIOIK-ZZXKWVIFSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 2729280
2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole
CID 104707726
1-[4-(1,3-benzoxazol-2-yloxy)-3-methoxyphenyl]-3-methylpentan-3-ol
CID 154645754
1-[4-(1,3-benzoxazol-2-yloxy)-3-methoxyphenyl]-3-(trifluoromethyl)pentan-3-ol
CID 154645715
2-(1,3-benzoxazol-2-yloxy)-4-methoxyaniline
CID 102703092
2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-methylbenzimidazole
CID 2991156
N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 3111005
2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline
CID 5475836
2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
CID 155662899
2-(furan-2-yl)-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole
CID 17000188
1-(2-methoxy-4-prop-1-enylphenoxy)-4-phenylphthalazine
CID 6816986
4-[[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]methyl]morpholine
CID 50744797

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1,3-benzoxazole?
The IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1,3-benzoxazole (CID 47053079) is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1,3-benzoxazole.
What is the SMILES notation for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1,3-benzoxazole?
The canonical SMILES for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1,3-benzoxazole is C/C=C/c1ccc(Oc2nc3ccccc3o2)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1,3-benzoxazole?
The InChIKey is GAYNSUUYCNIOIK-ZZXKWVIFSA-N. The full InChI is InChI=1S/C17H15NO3/c1-3-6-12-9-10-15(16(11-12)19-2)21-17-18-13-7-4-5-8-14(13)20-17/h3-11H,1-2H3/b6-3+.
What are the key properties of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1,3-benzoxazole?
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1,3-benzoxazole has a molecular weight of 281.31 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1,3-benzoxazole is sourced from PubChem (CID 47053079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).