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

C15H20N4O2 — CID 121300565

IUPAC1-(5-tert-butyl-2-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one
SMILESCc1ccc(C(C)(C)C)cc1-n1nnn(C2COC2)c1=O
InChIInChI=1S/C15H20N4O2/c1-10-5-6-11(15(2,3)4)7-13(10)19-14(20)18(16-17-19)12-8-21-9-12/h5-7,12H,8-9H2,1-4H3
InChIKeyJMWNCTAYIMVCHU-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.61
Rot. Bonds2

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

1-(5-tert-butyl-2-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one (PubChem CID 121300565) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one
PubChem CID121300565
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(5-tert-butyl-2-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one
SMILESCc1ccc(C(C)(C)C)cc1-n1nnn(C2COC2)c1=O
InChIInChI=1S/C15H20N4O2/c1-10-5-6-11(15(2,3)4)7-13(10)19-14(20)18(16-17-19)12-8-21-9-12/h5-7,12H,8-9H2,1-4H3
InChIKeyJMWNCTAYIMVCHU-UHFFFAOYSA-N
XLogP1.61
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-dimethylphenyl)-2-[(2S)-1-methoxypropan-2-yl]-1,2,4-triazol-3-one
CID 99827712
1-(5-Tert-butyl-2-cyclopropyl-4-fluorophenyl)-4-methyltetrazol-5-one
CID 90209165
1-(5-Tert-butyl-2-ethenyl-4-fluorophenyl)-4-methyltetrazol-5-one
CID 121300459
1-(5-Tert-butyl-2-ethyl-4-fluorophenyl)-4-methyltetrazol-5-one
CID 121300462
1-[5-Tert-butyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-methyltetrazol-5-one
CID 121300463
1-(2-Ethyl-4-fluoro-5-propylphenyl)-4-methyltetrazol-5-one
CID 134228733
1-(2,5-Dimethylphenyl)-4-methyltetrazol-5-one
CID 89864021
1-(2,5-Dimethylphenyl)-4-(oxetan-3-yl)tetrazol-5-one
CID 89864022
1-(2,5-Dimethylphenyl)-4-(2-hydroxyethyl)tetrazol-5-one
CID 89864030
1-[5-Tert-butyl-2-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-4-methyltetrazol-5-one
CID 121300473
1-(3-Tert-butylphenyl)-4-(oxetan-3-yl)tetrazol-5-one
CID 121300555
1-(3-Tert-butylphenyl)-4-(2-hydroxyethyl)tetrazol-5-one
CID 121300558

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one?
The IUPAC name of 1-(5-tert-butyl-2-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one (CID 121300565) is 1-(5-tert-butyl-2-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one.
What is the SMILES notation for 1-(5-tert-butyl-2-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one?
The canonical SMILES for 1-(5-tert-butyl-2-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one is Cc1ccc(C(C)(C)C)cc1-n1nnn(C2COC2)c1=O.
What is the InChIKey of 1-(5-tert-butyl-2-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one?
The InChIKey is JMWNCTAYIMVCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-5-6-11(15(2,3)4)7-13(10)19-14(20)18(16-17-19)12-8-21-9-12/h5-7,12H,8-9H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-2-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one?
1-(5-tert-butyl-2-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one has a molecular weight of 288.35 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one is sourced from PubChem (CID 121300565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).