5-(1,3-benzodioxol-5-yl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4,5-dihydro-1,2-oxazole

C19H15NO5 — CID 10449716

IUPAC5-(1,3-benzodioxol-5-yl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4,5-dihydro-1,2-oxazole
SMILESC(=C/c1ccc2c(c1)OCO2)\C1=NOC(c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C19H15NO5/c1(12-2-5-15-18(7-12)23-10-21-15)4-14-9-17(25-20-14)13-3-6-16-19(8-13)24-11-22-16/h1-8,17H,9-11H2/b4-1+
InChIKeyMNQPALZVQABABU-DAFODLJHSA-N
MW337.33 g/mol
LogP3.67
Rot. Bonds3

About 5-(1,3-benzodioxol-5-yl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4,5-dihydro-1,2-oxazole

5-(1,3-benzodioxol-5-yl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4,5-dihydro-1,2-oxazole (PubChem CID 10449716) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4,5-dihydro-1,2-oxazole
PubChem CID10449716
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name5-(1,3-benzodioxol-5-yl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4,5-dihydro-1,2-oxazole
SMILESC(=C/c1ccc2c(c1)OCO2)\C1=NOC(c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C19H15NO5/c1(12-2-5-15-18(7-12)23-10-21-15)4-14-9-17(25-20-14)13-3-6-16-19(8-13)24-11-22-16/h1-8,17H,9-11H2/b4-1+
InChIKeyMNQPALZVQABABU-DAFODLJHSA-N
XLogP3.67
TPSA58.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-3-(1,3-benzodioxol-5-yl)prop-2-enal
CID 5374493
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4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-methylpyridin-1-ium
CID 788688
(3R)-3-(1,3-benzodioxol-5-yl)-5-[2-(1,3-benzodioxol-5-yl)ethenyl]-2-phenyl-1,3-dihydropyrazole
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formaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole
CID 6442051
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CID 153491155
3-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
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5-(oxolan-2-yl)-1,3-benzodioxole
CID 10035471
2-[2-(1,3-benzodioxol-5-yl)ethenyl]quinolin-8-ol
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4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]cyclohexa-1,3-dien-1-amine;ethane
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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4,5-dihydro-1,2-oxazole (CID 10449716) is 5-(1,3-benzodioxol-5-yl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4,5-dihydro-1,2-oxazole is C(=C/c1ccc2c(c1)OCO2)\C1=NOC(c2ccc3c(c2)OCO3)C1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is MNQPALZVQABABU-DAFODLJHSA-N. The full InChI is InChI=1S/C19H15NO5/c1(12-2-5-15-18(7-12)23-10-21-15)4-14-9-17(25-20-14)13-3-6-16-19(8-13)24-11-22-16/h1-8,17H,9-11H2/b4-1+.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4,5-dihydro-1,2-oxazole?
5-(1,3-benzodioxol-5-yl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 337.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 10449716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).