2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(furan-2-yl)propyl]-1,3,4-oxadiazole

C17H16N2O4 — CID 154845766

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(furan-2-yl)propyl]-1,3,4-oxadiazole
SMILESCC(Cc1nnc(-c2ccc3c(c2)OCCO3)o1)c1ccco1
InChIInChI=1S/C17H16N2O4/c1-11(13-3-2-6-20-13)9-16-18-19-17(23-16)12-4-5-14-15(10-12)22-8-7-21-14/h2-6,10-11H,7-9H2,1H3
InChIKeyJCMSYBFXXKIPMF-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.45
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(furan-2-yl)propyl]-1,3,4-oxadiazole

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(furan-2-yl)propyl]-1,3,4-oxadiazole (PubChem CID 154845766) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(furan-2-yl)propyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(furan-2-yl)propyl]-1,3,4-oxadiazole
PubChem CID154845766
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(furan-2-yl)propyl]-1,3,4-oxadiazole
SMILESCC(Cc1nnc(-c2ccc3c(c2)OCCO3)o1)c1ccco1
InChIInChI=1S/C17H16N2O4/c1-11(13-3-2-6-20-13)9-16-18-19-17(23-16)12-4-5-14-15(10-12)22-8-7-21-14/h2-6,10-11H,7-9H2,1H3
InChIKeyJCMSYBFXXKIPMF-UHFFFAOYSA-N
XLogP3.45
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 55035052
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 110410091
(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine
CID 28643569
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]triazole
CID 56701998
2-[(E)-2-(2-bromophenyl)ethenyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole
CID 71614879
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 17417964
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 86790729
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 138997237
2-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethyl]-5-(2-methylpropyl)-1,3,4-oxadiazole
CID 95334974
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(furan-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 94566157
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 9491145
2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 29065644

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(furan-2-yl)propyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(furan-2-yl)propyl]-1,3,4-oxadiazole (CID 154845766) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(furan-2-yl)propyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(furan-2-yl)propyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(furan-2-yl)propyl]-1,3,4-oxadiazole is CC(Cc1nnc(-c2ccc3c(c2)OCCO3)o1)c1ccco1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(furan-2-yl)propyl]-1,3,4-oxadiazole?
The InChIKey is JCMSYBFXXKIPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-11(13-3-2-6-20-13)9-16-18-19-17(23-16)12-4-5-14-15(10-12)22-8-7-21-14/h2-6,10-11H,7-9H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(furan-2-yl)propyl]-1,3,4-oxadiazole?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(furan-2-yl)propyl]-1,3,4-oxadiazole has a molecular weight of 312.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(furan-2-yl)propyl]-1,3,4-oxadiazole is sourced from PubChem (CID 154845766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).