5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole

C16H14N6O3S — CID 18140780

IUPAC5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(CSc3nnnn3Cc3ccco3)n2)c1
InChIInChI=1S/C16H14N6O3S/c1-23-12-5-2-4-11(8-12)15-17-14(25-19-15)10-26-16-18-20-21-22(16)9-13-6-3-7-24-13/h2-8H,9-10H2,1H3
InChIKeyNFGYCZSLJCATGU-UHFFFAOYSA-N
MW370.39 g/mol
LogP2.67
Rot. Bonds7

About 5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole

5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 18140780) has the molecular formula C16H14N6O3S and a molecular weight of 370.39 g/mol. Its IUPAC name is 5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID18140780
Molecular FormulaC16H14N6O3S
Molecular Weight370.39 g/mol
Exact Mass370.08
IUPAC Name5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(CSc3nnnn3Cc3ccco3)n2)c1
InChIInChI=1S/C16H14N6O3S/c1-23-12-5-2-4-11(8-12)15-17-14(25-19-15)10-26-16-18-20-21-22(16)9-13-6-3-7-24-13/h2-8H,9-10H2,1H3
InChIKeyNFGYCZSLJCATGU-UHFFFAOYSA-N
XLogP2.67
TPSA104.89 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

3-(4-ethylphenyl)-5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 18140820
5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole
CID 42140787
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-(3-methoxyphenyl)ethanone
CID 17481501
5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
CID 18140859
3-(4-tert-butylphenyl)-5-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 55309016
3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole
CID 17451985
5-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 24613342
5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 9027429
4-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 51302404
3-(3-methoxyphenyl)-5-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 55988944
3-(3-methoxyphenyl)-5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 41299285
5-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 33354404

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (CID 18140780) is 5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is COc1cccc(-c2noc(CSc3nnnn3Cc3ccco3)n2)c1.
What is the InChIKey of 5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is NFGYCZSLJCATGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O3S/c1-23-12-5-2-4-11(8-12)15-17-14(25-19-15)10-26-16-18-20-21-22(16)9-13-6-3-7-24-13/h2-8H,9-10H2,1H3.
What are the key properties of 5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 370.39 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 18140780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).