3-(furan-3-yl)-5-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole

C9H8N6O2 — CID 75426291

IUPAC3-(furan-3-yl)-5-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nnnn1Cc1nc(-c2ccoc2)no1
InChIInChI=1S/C9H8N6O2/c1-6-11-13-14-15(6)4-8-10-9(12-17-8)7-2-3-16-5-7/h2-3,5H,4H2,1H3
InChIKeyQMLAXLHNVXXFRR-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.67
Rot. Bonds3

About 3-(furan-3-yl)-5-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole

3-(furan-3-yl)-5-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 75426291) has the molecular formula C9H8N6O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-3-yl)-5-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID75426291
Molecular FormulaC9H8N6O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name3-(furan-3-yl)-5-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nnnn1Cc1nc(-c2ccoc2)no1
InChIInChI=1S/C9H8N6O2/c1-6-11-13-14-15(6)4-8-10-9(12-17-8)7-2-3-16-5-7/h2-3,5H,4H2,1H3
InChIKeyQMLAXLHNVXXFRR-UHFFFAOYSA-N
XLogP0.67
TPSA95.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64672459
5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 136516263
3-(furan-3-yl)-5-[(5-methyl-2-propan-2-ylazepan-1-yl)methyl]-1,2,4-oxadiazole
CID 86966615
(2S)-1-[(2R)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124778927
2-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119225155
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyltriazol-4-amine
CID 79542695
4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile
CID 106525160
5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole
CID 42140787
3-(furan-3-yl)-5-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95326732
3-(furan-3-yl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56780380
4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106525159
(2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine
CID 95323433

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-5-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-3-yl)-5-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole (CID 75426291) is 3-(furan-3-yl)-5-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-3-yl)-5-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-3-yl)-5-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole is Cc1nnnn1Cc1nc(-c2ccoc2)no1.
What is the InChIKey of 3-(furan-3-yl)-5-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is QMLAXLHNVXXFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O2/c1-6-11-13-14-15(6)4-8-10-9(12-17-8)7-2-3-16-5-7/h2-3,5H,4H2,1H3.
What are the key properties of 3-(furan-3-yl)-5-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole?
3-(furan-3-yl)-5-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 232.20 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 75426291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).