1-(furan-2-ylmethyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)tetrazole

C18H16N4O2S — CID 46411011

IUPAC1-(furan-2-ylmethyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)tetrazole
SMILESc1coc(Cn2nnnc2SCCOc2ccc3ccccc3c2)c1
InChIInChI=1S/C18H16N4O2S/c1-2-5-15-12-16(8-7-14(15)4-1)24-10-11-25-18-19-20-21-22(18)13-17-6-3-9-23-17/h1-9,12H,10-11,13H2
InChIKeyNCVSNWJBOZIIIA-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.64
Rot. Bonds7

About 1-(furan-2-ylmethyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)tetrazole

1-(furan-2-ylmethyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)tetrazole (PubChem CID 46411011) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)tetrazole.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)tetrazole
PubChem CID46411011
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name1-(furan-2-ylmethyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)tetrazole
SMILESc1coc(Cn2nnnc2SCCOc2ccc3ccccc3c2)c1
InChIInChI=1S/C18H16N4O2S/c1-2-5-15-12-16(8-7-14(15)4-1)24-10-11-25-18-19-20-21-22(18)13-17-6-3-9-23-17/h1-9,12H,10-11,13H2
InChIKeyNCVSNWJBOZIIIA-UHFFFAOYSA-N
XLogP3.64
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetate
CID 47138505
N-(furan-2-ylmethyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 55631222
5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole
CID 47138145
5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
CID 42140180
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-(3-methoxyphenyl)ethanone
CID 17481501
3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole
CID 17451985
5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
CID 47138148
5-[(1-benzylimidazol-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
CID 134001576
5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 18140780
methyl 2-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]furan-3-carboxylate
CID 31032427
5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
CID 18140859
N-benzyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140656

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)tetrazole?
The IUPAC name of 1-(furan-2-ylmethyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)tetrazole (CID 46411011) is 1-(furan-2-ylmethyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)tetrazole.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)tetrazole?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)tetrazole is c1coc(Cn2nnnc2SCCOc2ccc3ccccc3c2)c1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)tetrazole?
The InChIKey is NCVSNWJBOZIIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-2-5-15-12-16(8-7-14(15)4-1)24-10-11-25-18-19-20-21-22(18)13-17-6-3-9-23-17/h1-9,12H,10-11,13H2.
What are the key properties of 1-(furan-2-ylmethyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)tetrazole?
1-(furan-2-ylmethyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)tetrazole has a molecular weight of 352.42 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)tetrazole is sourced from PubChem (CID 46411011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).