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

C23H23N5O2 — CID 121374925

IUPAC1-[3-ethyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-4-methyltetrazol-5-one
SMILESCCc1cccc(-n2nnn(C)c2=O)c1COc1ccc(-c2ccccc2)c(C)n1
InChIInChI=1S/C23H23N5O2/c1-4-17-11-8-12-21(28-23(29)27(3)25-26-28)20(17)15-30-22-14-13-19(16(2)24-22)18-9-6-5-7-10-18/h5-14H,4,15H2,1-3H3
InChIKeySIMUJIXBTLXEQT-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.48
Rot. Bonds6

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

1-[3-ethyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-4-methyltetrazol-5-one (PubChem CID 121374925) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[3-ethyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-[3-ethyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-4-methyltetrazol-5-one
PubChem CID121374925
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name1-[3-ethyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-4-methyltetrazol-5-one
SMILESCCc1cccc(-n2nnn(C)c2=O)c1COc1ccc(-c2ccccc2)c(C)n1
InChIInChI=1S/C23H23N5O2/c1-4-17-11-8-12-21(28-23(29)27(3)25-26-28)20(17)15-30-22-14-13-19(16(2)24-22)18-9-6-5-7-10-18/h5-14H,4,15H2,1-3H3
InChIKeySIMUJIXBTLXEQT-UHFFFAOYSA-N
XLogP3.48
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 121387065
1-[2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 121374924
1-[3-ethyl-2-(1,3,5-triazin-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one
CID 140707203
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-[3-ethoxy-2-[(2-ethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
CID 140804085
1-[3-ethyl-2-(1,3-oxazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one
CID 140734483
1-[3-ethyl-2-(1,3-thiazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one
CID 140723864
1-[3-bromo-2-[(2-ethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
CID 140719218
1-[3-ethyl-2-[[2-methyl-4-(1H-pyrazol-5-yl)phenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 118236635
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
N-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]propanamide
CID 130318560

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-4-methyltetrazol-5-one?
The IUPAC name of 1-[3-ethyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-4-methyltetrazol-5-one (CID 121374925) is 1-[3-ethyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-4-methyltetrazol-5-one.
What is the SMILES notation for 1-[3-ethyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-4-methyltetrazol-5-one?
The canonical SMILES for 1-[3-ethyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-4-methyltetrazol-5-one is CCc1cccc(-n2nnn(C)c2=O)c1COc1ccc(-c2ccccc2)c(C)n1.
What is the InChIKey of 1-[3-ethyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-4-methyltetrazol-5-one?
The InChIKey is SIMUJIXBTLXEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-4-17-11-8-12-21(28-23(29)27(3)25-26-28)20(17)15-30-22-14-13-19(16(2)24-22)18-9-6-5-7-10-18/h5-14H,4,15H2,1-3H3.
What are the key properties of 1-[3-ethyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-4-methyltetrazol-5-one?
1-[3-ethyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-4-methyltetrazol-5-one has a molecular weight of 401.47 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-4-methyltetrazol-5-one is sourced from PubChem (CID 121374925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).