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

C15H20N4O2S — CID 2997968

IUPAC1-(2-methoxy-5-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)tetrazole
SMILESCOc1ccc(C)cc1-n1nnnc1SCC1CCCCO1
InChIInChI=1S/C15H20N4O2S/c1-11-6-7-14(20-2)13(9-11)19-15(16-17-18-19)22-10-12-5-3-4-8-21-12/h6-7,9,12H,3-5,8,10H2,1-2H3
InChIKeyQXXBRYHPFMNMKA-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.64
Rot. Bonds5

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

1-(2-methoxy-5-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)tetrazole (PubChem CID 2997968) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)tetrazole.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)tetrazole
PubChem CID2997968
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name1-(2-methoxy-5-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)tetrazole
SMILESCOc1ccc(C)cc1-n1nnnc1SCC1CCCCO1
InChIInChI=1S/C15H20N4O2S/c1-11-6-7-14(20-2)13(9-11)19-15(16-17-18-19)22-10-12-5-3-4-8-21-12/h6-7,9,12H,3-5,8,10H2,1-2H3
InChIKeyQXXBRYHPFMNMKA-UHFFFAOYSA-N
XLogP2.64
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.64
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-(oxan-2-ylmethylsulfanyl)tetrazole?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)tetrazole (CID 2997968) is 1-(2-methoxy-5-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)tetrazole.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)tetrazole?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)tetrazole is COc1ccc(C)cc1-n1nnnc1SCC1CCCCO1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)tetrazole?
The InChIKey is QXXBRYHPFMNMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-11-6-7-14(20-2)13(9-11)19-15(16-17-18-19)22-10-12-5-3-4-8-21-12/h6-7,9,12H,3-5,8,10H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)tetrazole?
1-(2-methoxy-5-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)tetrazole has a molecular weight of 320.42 g/mol, XLogP of 2.64, 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-(oxan-2-ylmethylsulfanyl)tetrazole is sourced from PubChem (CID 2997968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).