1-(2-methoxy-5-methylphenyl)-5-(oxolan-2-ylmethylsulfanyl)tetrazole

C14H18N4O2S — CID 4883751

IUPAC1-(2-methoxy-5-methylphenyl)-5-(oxolan-2-ylmethylsulfanyl)tetrazole
SMILESCOc1ccc(C)cc1-n1nnnc1SCC1CCCO1
InChIInChI=1S/C14H18N4O2S/c1-10-5-6-13(19-2)12(8-10)18-14(15-16-17-18)21-9-11-4-3-7-20-11/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyWEWUSMJPEOFVDD-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.25
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-5-(oxolan-2-ylmethylsulfanyl)tetrazole

1-(2-methoxy-5-methylphenyl)-5-(oxolan-2-ylmethylsulfanyl)tetrazole (PubChem CID 4883751) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-5-(oxolan-2-ylmethylsulfanyl)tetrazole.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-5-(oxolan-2-ylmethylsulfanyl)tetrazole
PubChem CID4883751
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-(2-methoxy-5-methylphenyl)-5-(oxolan-2-ylmethylsulfanyl)tetrazole
SMILESCOc1ccc(C)cc1-n1nnnc1SCC1CCCO1
InChIInChI=1S/C14H18N4O2S/c1-10-5-6-13(19-2)12(8-10)18-14(15-16-17-18)21-9-11-4-3-7-20-11/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyWEWUSMJPEOFVDD-UHFFFAOYSA-N
XLogP2.25
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-5-(oxolan-2-ylmethylsulfanyl)tetrazole?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-5-(oxolan-2-ylmethylsulfanyl)tetrazole (CID 4883751) is 1-(2-methoxy-5-methylphenyl)-5-(oxolan-2-ylmethylsulfanyl)tetrazole.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-5-(oxolan-2-ylmethylsulfanyl)tetrazole?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-5-(oxolan-2-ylmethylsulfanyl)tetrazole is COc1ccc(C)cc1-n1nnnc1SCC1CCCO1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-5-(oxolan-2-ylmethylsulfanyl)tetrazole?
The InChIKey is WEWUSMJPEOFVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10-5-6-13(19-2)12(8-10)18-14(15-16-17-18)21-9-11-4-3-7-20-11/h5-6,8,11H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-5-(oxolan-2-ylmethylsulfanyl)tetrazole?
1-(2-methoxy-5-methylphenyl)-5-(oxolan-2-ylmethylsulfanyl)tetrazole has a molecular weight of 306.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-5-(oxolan-2-ylmethylsulfanyl)tetrazole is sourced from PubChem (CID 4883751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).