1-(2-methoxy-5-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one

C12H14N4O3 — CID 121300816

IUPAC1-(2-methoxy-5-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one
SMILESCOc1ccc(C)cc1-n1nnn(C2COC2)c1=O
InChIInChI=1S/C12H14N4O3/c1-8-3-4-11(18-2)10(5-8)16-12(17)15(13-14-16)9-6-19-7-9/h3-5,9H,6-7H2,1-2H3
InChIKeyXWQGPVIMNAEBQW-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.32
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one

1-(2-methoxy-5-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one (PubChem CID 121300816) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one
PubChem CID121300816
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name1-(2-methoxy-5-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one
SMILESCOc1ccc(C)cc1-n1nnn(C2COC2)c1=O
InChIInChI=1S/C12H14N4O3/c1-8-3-4-11(18-2)10(5-8)16-12(17)15(13-14-16)9-6-19-7-9/h3-5,9H,6-7H2,1-2H3
InChIKeyXWQGPVIMNAEBQW-UHFFFAOYSA-N
XLogP0.32
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 82200726
3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one
CID 82420636
[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 62738146
1-(2-methoxy-5-methylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole
CID 7245378
4-(2-methoxy-5-methylphenyl)piperazine-2,6-dione
CID 55236738
1-(2-methoxy-5-methylphenyl)-5-methylsulfanyltetrazole
CID 8897883
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole
CID 39243590
5-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)-1,3-oxazinan-2-one
CID 117011560
[3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
CID 82200722
5-(2-methoxy-5-methylphenyl)-1H-pyrazolo[4,5-d]pyridazin-4-one
CID 165392987
1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
CID 82420628
2-[1-(2-methoxy-5-methylphenyl)-5-methylpyrazol-3-yl]acetonitrile
CID 82084697

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one (CID 121300816) is 1-(2-methoxy-5-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one is COc1ccc(C)cc1-n1nnn(C2COC2)c1=O.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one?
The InChIKey is XWQGPVIMNAEBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-8-3-4-11(18-2)10(5-8)16-12(17)15(13-14-16)9-6-19-7-9/h3-5,9H,6-7H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one?
1-(2-methoxy-5-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one has a molecular weight of 262.27 g/mol, XLogP of 0.32, 3 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)-4-(oxetan-3-yl)tetrazol-5-one is sourced from PubChem (CID 121300816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).