1-methyl-4-[3-methyl-2-[(4-methylphenyl)methoxymethyl]phenyl]tetrazol-5-one

C18H20N4O2 — CID 118054306

IUPAC1-methyl-4-[3-methyl-2-[(4-methylphenyl)methoxymethyl]phenyl]tetrazol-5-one
SMILESCc1ccc(COCc2c(C)cccc2-n2nnn(C)c2=O)cc1
InChIInChI=1S/C18H20N4O2/c1-13-7-9-15(10-8-13)11-24-12-16-14(2)5-4-6-17(16)22-18(23)21(3)19-20-22/h4-10H,11-12H2,1-3H3
InChIKeyZGNZQEJONMAZNN-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.30
Rot. Bonds5

About 1-methyl-4-[3-methyl-2-[(4-methylphenyl)methoxymethyl]phenyl]tetrazol-5-one

1-methyl-4-[3-methyl-2-[(4-methylphenyl)methoxymethyl]phenyl]tetrazol-5-one (PubChem CID 118054306) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-methyl-4-[3-methyl-2-[(4-methylphenyl)methoxymethyl]phenyl]tetrazol-5-one.

Molecular Properties

Compound Name1-methyl-4-[3-methyl-2-[(4-methylphenyl)methoxymethyl]phenyl]tetrazol-5-one
PubChem CID118054306
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-methyl-4-[3-methyl-2-[(4-methylphenyl)methoxymethyl]phenyl]tetrazol-5-one
SMILESCc1ccc(COCc2c(C)cccc2-n2nnn(C)c2=O)cc1
InChIInChI=1S/C18H20N4O2/c1-13-7-9-15(10-8-13)11-24-12-16-14(2)5-4-6-17(16)22-18(23)21(3)19-20-22/h4-10H,11-12H2,1-3H3
InChIKeyZGNZQEJONMAZNN-UHFFFAOYSA-N
XLogP2.30
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-[3-methyl-2-[[1-(4-methylphenyl)propylideneamino]oxymethyl]phenyl]tetrazol-5-one
CID 118459385
1-[2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 118049208
1-methyl-4-[3-methyl-2-[[6-(4-methylphenyl)pyrazin-2-yl]oxymethyl]phenyl]tetrazol-5-one
CID 118965490
1-[2-[(4-benzyl-2-methylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 121382578
(4-chlorophenyl)methyl N-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]ethanimidate
CID 142358810
1-[2-[[3-(4-methoxyphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 118965502
1-methyl-4-[3-methyl-2-[[1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]tetrazol-5-one
CID 118411937
1-methyl-4-[3-methyl-2-[(2-methyl-4-naphthalen-2-ylphenoxy)methyl]phenyl]tetrazol-5-one
CID 121382546
5-methyl-2-[3-methyl-4-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]phenyl]benzonitrile
CID 121382570
N-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]cyclopropanecarboxamide
CID 130318251
1-methyl-4-[3-methyl-2-[[2-methyl-4-(5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]phenyl]tetrazol-5-one
CID 122413878
1-methyl-4-[3-methyl-2-[(4-phenoxyphenyl)methoxy]phenyl]tetrazol-5-one
CID 118054264

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-methyl-2-[(4-methylphenyl)methoxymethyl]phenyl]tetrazol-5-one?
The IUPAC name of 1-methyl-4-[3-methyl-2-[(4-methylphenyl)methoxymethyl]phenyl]tetrazol-5-one (CID 118054306) is 1-methyl-4-[3-methyl-2-[(4-methylphenyl)methoxymethyl]phenyl]tetrazol-5-one.
What is the SMILES notation for 1-methyl-4-[3-methyl-2-[(4-methylphenyl)methoxymethyl]phenyl]tetrazol-5-one?
The canonical SMILES for 1-methyl-4-[3-methyl-2-[(4-methylphenyl)methoxymethyl]phenyl]tetrazol-5-one is Cc1ccc(COCc2c(C)cccc2-n2nnn(C)c2=O)cc1.
What is the InChIKey of 1-methyl-4-[3-methyl-2-[(4-methylphenyl)methoxymethyl]phenyl]tetrazol-5-one?
The InChIKey is ZGNZQEJONMAZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-7-9-15(10-8-13)11-24-12-16-14(2)5-4-6-17(16)22-18(23)21(3)19-20-22/h4-10H,11-12H2,1-3H3.
What are the key properties of 1-methyl-4-[3-methyl-2-[(4-methylphenyl)methoxymethyl]phenyl]tetrazol-5-one?
1-methyl-4-[3-methyl-2-[(4-methylphenyl)methoxymethyl]phenyl]tetrazol-5-one has a molecular weight of 324.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-methyl-2-[(4-methylphenyl)methoxymethyl]phenyl]tetrazol-5-one is sourced from PubChem (CID 118054306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).