1-[2-[[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one

C22H20FN5O2 — CID 121387065

IUPAC1-[2-[[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one
SMILESCc1cccc(-n2nnn(C)c2=O)c1COc1ccc(-c2ccc(F)cc2)c(C)n1
InChIInChI=1S/C22H20FN5O2/c1-14-5-4-6-20(28-22(29)27(3)25-26-28)19(14)13-30-21-12-11-18(15(2)24-21)16-7-9-17(23)10-8-16/h4-12H,13H2,1-3H3
InChIKeyUDYDAITYVINBCI-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.36
Rot. Bonds5

About 1-[2-[[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one

1-[2-[[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one (PubChem CID 121387065) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 1-[2-[[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-[2-[[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one
PubChem CID121387065
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name1-[2-[[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one
SMILESCc1cccc(-n2nnn(C)c2=O)c1COc1ccc(-c2ccc(F)cc2)c(C)n1
InChIInChI=1S/C22H20FN5O2/c1-14-5-4-6-20(28-22(29)27(3)25-26-28)19(14)13-30-21-12-11-18(15(2)24-21)16-7-9-17(23)10-8-16/h4-12H,13H2,1-3H3
InChIKeyUDYDAITYVINBCI-UHFFFAOYSA-N
XLogP3.36
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-ethyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-4-methyltetrazol-5-one
CID 121374925
1-[2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 121374924
1-methyl-4-[3-methyl-2-[[6-(4-methylphenyl)pyrazin-2-yl]oxymethyl]phenyl]tetrazol-5-one
CID 118965490
1-methyl-4-[3-methyl-2-[[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]methyl]phenyl]tetrazol-5-one
CID 121382569
1-[2-[[5-(4-chlorophenyl)-2-fluorophenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 118965545
1-methyl-4-[3-methyl-2-[[6-(1H-pyrazol-1-ium-5-yl)-2-pyridinyl]oxymethyl]phenyl]tetrazol-5-one
CID 144738920
1-methyl-4-[3-methyl-2-[(2,3,5,6-tetrafluoro-4-phenylphenoxy)methyl]phenyl]tetrazol-5-one
CID 121381109
1-[2-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[5-(3-isocyanophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-methyl-4-[3-methyl-2-[[6-methyl-5-(2-methylphenyl)-2-pyridinyl]oxymethyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[[6-methyl-5-(3-methylphenyl)-2-pyridinyl]oxymethyl]phenyl]tetrazol-5-one;2-[2-methyl-6-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]-3-pyridinyl]benzonitrile
CID 162065732
1-[2-[[3-(4-methoxyphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 118965502
1-methyl-4-[3-methyl-2-[(2-methyl-4-naphthalen-2-ylphenoxy)methyl]phenyl]tetrazol-5-one
CID 121382546
1-[2-[[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 121380873
1-methyl-4-[3-methyl-2-[[3-(3,4,5-trifluorophenyl)phenoxy]methyl]phenyl]tetrazol-5-one
CID 118907869

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one?
The IUPAC name of 1-[2-[[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one (CID 121387065) is 1-[2-[[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one.
What is the SMILES notation for 1-[2-[[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one?
The canonical SMILES for 1-[2-[[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one is Cc1cccc(-n2nnn(C)c2=O)c1COc1ccc(-c2ccc(F)cc2)c(C)n1.
What is the InChIKey of 1-[2-[[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one?
The InChIKey is UDYDAITYVINBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-14-5-4-6-20(28-22(29)27(3)25-26-28)19(14)13-30-21-12-11-18(15(2)24-21)16-7-9-17(23)10-8-16/h4-12H,13H2,1-3H3.
What are the key properties of 1-[2-[[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one?
1-[2-[[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one has a molecular weight of 405.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one is sourced from PubChem (CID 121387065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).