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

C16H14N6O2 — CID 9381437

IUPAC2-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESCCc1ccc(-c2nnn(Cc3nnc(-c4ccco4)o3)n2)cc1
InChIInChI=1S/C16H14N6O2/c1-2-11-5-7-12(8-6-11)15-18-21-22(20-15)10-14-17-19-16(24-14)13-4-3-9-23-13/h3-9H,2,10H2,1H3
InChIKeyBBIFOPVICUVCHJ-UHFFFAOYSA-N
MW322.33 g/mol
LogP2.59
Rot. Bonds5

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

2-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole (PubChem CID 9381437) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
PubChem CID9381437
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name2-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESCCc1ccc(-c2nnn(Cc3nnc(-c4ccco4)o3)n2)cc1
InChIInChI=1S/C16H14N6O2/c1-2-11-5-7-12(8-6-11)15-18-21-22(20-15)10-14-17-19-16(24-14)13-4-3-9-23-13/h3-9H,2,10H2,1H3
InChIKeyBBIFOPVICUVCHJ-UHFFFAOYSA-N
XLogP2.59
TPSA95.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole with MolForge

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Related Compounds

(4-ethylphenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 35127035
2-phenyl-5-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3,4-oxadiazole
CID 8642914
2-[[5-(4-butoxyphenyl)tetrazol-2-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 3184427
2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 3689757
2-(bromomethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 81222446
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate
CID 9272371
2-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 63873892
1-[1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine
CID 114419614
2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
CID 43090469
4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-methylbenzamide
CID 136534799
2-(4-methoxyphenyl)-5-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,3,4-oxadiazole
CID 27914512
2-(furan-2-yl)-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 53497956

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole (CID 9381437) is 2-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole is CCc1ccc(-c2nnn(Cc3nnc(-c4ccco4)o3)n2)cc1.
What is the InChIKey of 2-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The InChIKey is BBIFOPVICUVCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-2-11-5-7-12(8-6-11)15-18-21-22(20-15)10-14-17-19-16(24-14)13-4-3-9-23-13/h3-9H,2,10H2,1H3.
What are the key properties of 2-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
2-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole has a molecular weight of 322.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 9381437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).