5-(furan-3-yl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one

C16H11N3O3 — CID 126468383

IUPAC5-(furan-3-yl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccoc2)nn1Cc1ccc2ccccc2n1
InChIInChI=1S/C16H11N3O3/c20-16-19(18-15(22-16)12-7-8-21-10-12)9-13-6-5-11-3-1-2-4-14(11)17-13/h1-8,10H,9H2
InChIKeyDUKYCYREHYNITJ-UHFFFAOYSA-N
MW293.28 g/mol
LogP2.69
Rot. Bonds3

About 5-(furan-3-yl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one

5-(furan-3-yl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one (PubChem CID 126468383) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is 5-(furan-3-yl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(furan-3-yl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one
PubChem CID126468383
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC Name5-(furan-3-yl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccoc2)nn1Cc1ccc2ccccc2n1
InChIInChI=1S/C16H11N3O3/c20-16-19(18-15(22-16)12-7-8-21-10-12)9-13-6-5-11-3-1-2-4-14(11)17-13/h1-8,10H,9H2
InChIKeyDUKYCYREHYNITJ-UHFFFAOYSA-N
XLogP2.69
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(methoxymethyl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one
CID 75446523
2-(quinolin-2-ylmethyl)phthalazin-1-one
CID 72909560
2-[[3-(methoxymethyl)indazol-2-yl]methyl]quinoline
CID 143893671
CID 89210421
CID 89210421
7-chloro-3-(quinolin-2-ylmethyl)quinazolin-4-one
CID 141114894
3-[(4-methylphenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 3700631
quinolin-2-ylmethanesulfonamide
CID 43164320
3-butyl-5-phenyl-1,3,4-oxadiazol-2-one
CID 14816002
2-(iodomethyl)quinoline
CID 19432604
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
[1-(quinolin-2-ylmethyl)triazol-4-yl]methanol
CID 56594560
1-(quinolin-2-ylmethyl)azetidin-3-amine
CID 63760715

Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(furan-3-yl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one (CID 126468383) is 5-(furan-3-yl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(furan-3-yl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(furan-3-yl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one is O=c1oc(-c2ccoc2)nn1Cc1ccc2ccccc2n1.
What is the InChIKey of 5-(furan-3-yl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one?
The InChIKey is DUKYCYREHYNITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3/c20-16-19(18-15(22-16)12-7-8-21-10-12)9-13-6-5-11-3-1-2-4-14(11)17-13/h1-8,10H,9H2.
What are the key properties of 5-(furan-3-yl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one?
5-(furan-3-yl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one has a molecular weight of 293.28 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 126468383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).