1-methyl-4-[3-methyl-2-[(4-phenoxyphenyl)methoxy]phenyl]tetrazol-5-one

C22H20N4O3 — CID 118054264

IUPAC1-methyl-4-[3-methyl-2-[(4-phenoxyphenyl)methoxy]phenyl]tetrazol-5-one
SMILESCc1cccc(-n2nnn(C)c2=O)c1OCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H20N4O3/c1-16-7-6-10-20(26-22(27)25(2)23-24-26)21(16)28-15-17-11-13-19(14-12-17)29-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3
InChIKeyMFYVEYSTTHOZSJ-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.65
Rot. Bonds6

About 1-methyl-4-[3-methyl-2-[(4-phenoxyphenyl)methoxy]phenyl]tetrazol-5-one

1-methyl-4-[3-methyl-2-[(4-phenoxyphenyl)methoxy]phenyl]tetrazol-5-one (PubChem CID 118054264) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-methyl-4-[3-methyl-2-[(4-phenoxyphenyl)methoxy]phenyl]tetrazol-5-one.

Molecular Properties

Compound Name1-methyl-4-[3-methyl-2-[(4-phenoxyphenyl)methoxy]phenyl]tetrazol-5-one
PubChem CID118054264
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name1-methyl-4-[3-methyl-2-[(4-phenoxyphenyl)methoxy]phenyl]tetrazol-5-one
SMILESCc1cccc(-n2nnn(C)c2=O)c1OCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H20N4O3/c1-16-7-6-10-20(26-22(27)25(2)23-24-26)21(16)28-15-17-11-13-19(14-12-17)29-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3
InChIKeyMFYVEYSTTHOZSJ-UHFFFAOYSA-N
XLogP3.65
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-4-[3-methyl-2-[(2-methyl-4-phenylphenyl)methoxy]phenyl]tetrazol-5-one
CID 122506529
1-[2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 118049208
1-methyl-4-[2-(phenoxymethyl)phenyl]tetrazol-5-one
CID 134251488
1-methyl-4-[3-methyl-2-[(4-methylphenyl)methoxymethyl]phenyl]tetrazol-5-one
CID 118054306
1-methyl-4-[3-methyl-2-[(2,3,5,6-tetrafluoro-4-phenylphenoxy)methyl]phenyl]tetrazol-5-one
CID 121381109
1-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one
CID 122519670
1-[2-[(4-benzyl-2-methylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 121382578
1-[2-[(3-benzoylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 118049184
1-methyl-4-[2-[(4-phenylphenoxy)methyl]phenyl]tetrazol-5-one
CID 121331474
1-[2-[[4-(3-fluoro-2-pyridinyl)-2,5-dimethylphenyl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one
CID 122519662
1-[2-[[3-(4-methoxyphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 118965502
1-[3-cyclopropyl-2-[(2-fluoro-6-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
CID 140719209

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-methyl-2-[(4-phenoxyphenyl)methoxy]phenyl]tetrazol-5-one?
The IUPAC name of 1-methyl-4-[3-methyl-2-[(4-phenoxyphenyl)methoxy]phenyl]tetrazol-5-one (CID 118054264) is 1-methyl-4-[3-methyl-2-[(4-phenoxyphenyl)methoxy]phenyl]tetrazol-5-one.
What is the SMILES notation for 1-methyl-4-[3-methyl-2-[(4-phenoxyphenyl)methoxy]phenyl]tetrazol-5-one?
The canonical SMILES for 1-methyl-4-[3-methyl-2-[(4-phenoxyphenyl)methoxy]phenyl]tetrazol-5-one is Cc1cccc(-n2nnn(C)c2=O)c1OCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-[3-methyl-2-[(4-phenoxyphenyl)methoxy]phenyl]tetrazol-5-one?
The InChIKey is MFYVEYSTTHOZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-16-7-6-10-20(26-22(27)25(2)23-24-26)21(16)28-15-17-11-13-19(14-12-17)29-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3.
What are the key properties of 1-methyl-4-[3-methyl-2-[(4-phenoxyphenyl)methoxy]phenyl]tetrazol-5-one?
1-methyl-4-[3-methyl-2-[(4-phenoxyphenyl)methoxy]phenyl]tetrazol-5-one has a molecular weight of 388.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-methyl-2-[(4-phenoxyphenyl)methoxy]phenyl]tetrazol-5-one is sourced from PubChem (CID 118054264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).