5-[4-[3-(5-ethylfuran-2-yl)propoxy]-3,5-dimethylphenyl]-2-methyltetrazole

C19H24N4O2 — CID 15954643

IUPAC5-[4-[3-(5-ethylfuran-2-yl)propoxy]-3,5-dimethylphenyl]-2-methyltetrazole
SMILESCCc1ccc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)o1
InChIInChI=1S/C19H24N4O2/c1-5-16-8-9-17(25-16)7-6-10-24-18-13(2)11-15(12-14(18)3)19-20-22-23(4)21-19/h8-9,11-12H,5-7,10H2,1-4H3
InChIKeyDOALTASKEOVTAO-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.66
Rot. Bonds7

About 5-[4-[3-(5-ethylfuran-2-yl)propoxy]-3,5-dimethylphenyl]-2-methyltetrazole

5-[4-[3-(5-ethylfuran-2-yl)propoxy]-3,5-dimethylphenyl]-2-methyltetrazole (PubChem CID 15954643) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-[4-[3-(5-ethylfuran-2-yl)propoxy]-3,5-dimethylphenyl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[4-[3-(5-ethylfuran-2-yl)propoxy]-3,5-dimethylphenyl]-2-methyltetrazole
PubChem CID15954643
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name5-[4-[3-(5-ethylfuran-2-yl)propoxy]-3,5-dimethylphenyl]-2-methyltetrazole
SMILESCCc1ccc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)o1
InChIInChI=1S/C19H24N4O2/c1-5-16-8-9-17(25-16)7-6-10-24-18-13(2)11-15(12-14(18)3)19-20-22-23(4)21-19/h8-9,11-12H,5-7,10H2,1-4H3
InChIKeyDOALTASKEOVTAO-UHFFFAOYSA-N
XLogP3.66
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.66
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-[4-[3-(5-ethylfuran-2-yl)propoxy]-3,5-dimethylphenyl]-2-methyltetrazole?
The IUPAC name of 5-[4-[3-(5-ethylfuran-2-yl)propoxy]-3,5-dimethylphenyl]-2-methyltetrazole (CID 15954643) is 5-[4-[3-(5-ethylfuran-2-yl)propoxy]-3,5-dimethylphenyl]-2-methyltetrazole.
What is the SMILES notation for 5-[4-[3-(5-ethylfuran-2-yl)propoxy]-3,5-dimethylphenyl]-2-methyltetrazole?
The canonical SMILES for 5-[4-[3-(5-ethylfuran-2-yl)propoxy]-3,5-dimethylphenyl]-2-methyltetrazole is CCc1ccc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)o1.
What is the InChIKey of 5-[4-[3-(5-ethylfuran-2-yl)propoxy]-3,5-dimethylphenyl]-2-methyltetrazole?
The InChIKey is DOALTASKEOVTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-5-16-8-9-17(25-16)7-6-10-24-18-13(2)11-15(12-14(18)3)19-20-22-23(4)21-19/h8-9,11-12H,5-7,10H2,1-4H3.
What are the key properties of 5-[4-[3-(5-ethylfuran-2-yl)propoxy]-3,5-dimethylphenyl]-2-methyltetrazole?
5-[4-[3-(5-ethylfuran-2-yl)propoxy]-3,5-dimethylphenyl]-2-methyltetrazole has a molecular weight of 340.43 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(5-ethylfuran-2-yl)propoxy]-3,5-dimethylphenyl]-2-methyltetrazole is sourced from PubChem (CID 15954643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).