1-methyl-4-[2-(phenoxymethyl)phenyl]tetrazol-5-one

C15H14N4O2 — CID 134251488

IUPAC1-methyl-4-[2-(phenoxymethyl)phenyl]tetrazol-5-one
SMILESCn1nnn(-c2ccccc2COc2ccccc2)c1=O
InChIInChI=1S/C15H14N4O2/c1-18-15(20)19(17-16-18)14-10-6-5-7-12(14)11-21-13-8-3-2-4-9-13/h2-10H,11H2,1H3
InChIKeyJBPNVDLTGCUFGO-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.54
Rot. Bonds4

About 1-methyl-4-[2-(phenoxymethyl)phenyl]tetrazol-5-one

1-methyl-4-[2-(phenoxymethyl)phenyl]tetrazol-5-one (PubChem CID 134251488) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-methyl-4-[2-(phenoxymethyl)phenyl]tetrazol-5-one.

Molecular Properties

Compound Name1-methyl-4-[2-(phenoxymethyl)phenyl]tetrazol-5-one
PubChem CID134251488
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name1-methyl-4-[2-(phenoxymethyl)phenyl]tetrazol-5-one
SMILESCn1nnn(-c2ccccc2COc2ccccc2)c1=O
InChIInChI=1S/C15H14N4O2/c1-18-15(20)19(17-16-18)14-10-6-5-7-12(14)11-21-13-8-3-2-4-9-13/h2-10H,11H2,1H3
InChIKeyJBPNVDLTGCUFGO-UHFFFAOYSA-N
XLogP1.54
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-[2-(phenoxymethyl)phenyl]tetrazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-[2-[(4-phenylphenoxy)methyl]phenyl]tetrazol-5-one
CID 121331474
1-[2-[(2-ethyl-4-hydroxyphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
CID 90266775
1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
CID 118967377
1-[3-ethyl-2-(pyridin-4-yloxymethyl)phenyl]-4-methyltetrazol-5-one
CID 140707238
1-[3-ethyl-2-(pyridin-3-yloxymethyl)phenyl]-4-methyltetrazol-5-one
CID 140707252
1-[2-[[4-(6-chloro-2-pyridinyl)-2-methylphenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 121367349
1-methyl-4-[3-methyl-2-[(4-phenoxyphenyl)methoxy]phenyl]tetrazol-5-one
CID 118054264
1-[3-ethoxy-2-[(2-ethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
CID 140804085
1-[2-[[4-(6-chloro-2-pyridinyl)-2,5-dimethylphenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 121367390
1-[2-[[1-(2,6-dimethoxy-3-pyridinyl)pyrazol-3-yl]oxymethyl]phenyl]-4-methyltetrazol-5-one
CID 91666655
1-[2-[(3-benzoylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 118049184
1-methyl-4-[3-methyl-2-[(2-methyl-4-phenylphenyl)methoxy]phenyl]tetrazol-5-one
CID 122506529

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(phenoxymethyl)phenyl]tetrazol-5-one?
The IUPAC name of 1-methyl-4-[2-(phenoxymethyl)phenyl]tetrazol-5-one (CID 134251488) is 1-methyl-4-[2-(phenoxymethyl)phenyl]tetrazol-5-one.
What is the SMILES notation for 1-methyl-4-[2-(phenoxymethyl)phenyl]tetrazol-5-one?
The canonical SMILES for 1-methyl-4-[2-(phenoxymethyl)phenyl]tetrazol-5-one is Cn1nnn(-c2ccccc2COc2ccccc2)c1=O.
What is the InChIKey of 1-methyl-4-[2-(phenoxymethyl)phenyl]tetrazol-5-one?
The InChIKey is JBPNVDLTGCUFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-18-15(20)19(17-16-18)14-10-6-5-7-12(14)11-21-13-8-3-2-4-9-13/h2-10H,11H2,1H3.
What are the key properties of 1-methyl-4-[2-(phenoxymethyl)phenyl]tetrazol-5-one?
1-methyl-4-[2-(phenoxymethyl)phenyl]tetrazol-5-one has a molecular weight of 282.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(phenoxymethyl)phenyl]tetrazol-5-one is sourced from PubChem (CID 134251488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).