5-[3,5-dimethyl-4-[3-(5-propylfuran-2-yl)propoxy]phenyl]-2-methyltetrazole

C20H26N4O2 — CID 15954637

IUPAC5-[3,5-dimethyl-4-[3-(5-propylfuran-2-yl)propoxy]phenyl]-2-methyltetrazole
SMILESCCCc1ccc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)o1
InChIInChI=1S/C20H26N4O2/c1-5-7-17-9-10-18(26-17)8-6-11-25-19-14(2)12-16(13-15(19)3)20-21-23-24(4)22-20/h9-10,12-13H,5-8,11H2,1-4H3
InChIKeyIZYGFNCJDVAFNQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.05
Rot. Bonds8

About 5-[3,5-dimethyl-4-[3-(5-propylfuran-2-yl)propoxy]phenyl]-2-methyltetrazole

5-[3,5-dimethyl-4-[3-(5-propylfuran-2-yl)propoxy]phenyl]-2-methyltetrazole (PubChem CID 15954637) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-[3,5-dimethyl-4-[3-(5-propylfuran-2-yl)propoxy]phenyl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[3,5-dimethyl-4-[3-(5-propylfuran-2-yl)propoxy]phenyl]-2-methyltetrazole
PubChem CID15954637
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name5-[3,5-dimethyl-4-[3-(5-propylfuran-2-yl)propoxy]phenyl]-2-methyltetrazole
SMILESCCCc1ccc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)o1
InChIInChI=1S/C20H26N4O2/c1-5-7-17-9-10-18(26-17)8-6-11-25-19-14(2)12-16(13-15(19)3)20-21-23-24(4)22-20/h9-10,12-13H,5-8,11H2,1-4H3
InChIKeyIZYGFNCJDVAFNQ-UHFFFAOYSA-N
XLogP4.05
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3,5-dimethyl-4-[3-(5-propylfuran-2-yl)propoxy]phenyl]-2-methyltetrazole?
The IUPAC name of 5-[3,5-dimethyl-4-[3-(5-propylfuran-2-yl)propoxy]phenyl]-2-methyltetrazole (CID 15954637) is 5-[3,5-dimethyl-4-[3-(5-propylfuran-2-yl)propoxy]phenyl]-2-methyltetrazole.
What is the SMILES notation for 5-[3,5-dimethyl-4-[3-(5-propylfuran-2-yl)propoxy]phenyl]-2-methyltetrazole?
The canonical SMILES for 5-[3,5-dimethyl-4-[3-(5-propylfuran-2-yl)propoxy]phenyl]-2-methyltetrazole is CCCc1ccc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)o1.
What is the InChIKey of 5-[3,5-dimethyl-4-[3-(5-propylfuran-2-yl)propoxy]phenyl]-2-methyltetrazole?
The InChIKey is IZYGFNCJDVAFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-5-7-17-9-10-18(26-17)8-6-11-25-19-14(2)12-16(13-15(19)3)20-21-23-24(4)22-20/h9-10,12-13H,5-8,11H2,1-4H3.
What are the key properties of 5-[3,5-dimethyl-4-[3-(5-propylfuran-2-yl)propoxy]phenyl]-2-methyltetrazole?
5-[3,5-dimethyl-4-[3-(5-propylfuran-2-yl)propoxy]phenyl]-2-methyltetrazole has a molecular weight of 354.45 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-dimethyl-4-[3-(5-propylfuran-2-yl)propoxy]phenyl]-2-methyltetrazole is sourced from PubChem (CID 15954637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).