1-[4-fluoro-2-[(2R)-2-hydroxypropoxy]-5-propan-2-ylphenyl]-4-methyltetrazol-5-one

C14H19FN4O3 — CID 134331823

IUPAC1-[4-fluoro-2-[(2R)-2-hydroxypropoxy]-5-propan-2-ylphenyl]-4-methyltetrazol-5-one
SMILESCC(C)c1cc(-n2nnn(C)c2=O)c(OC[C@@H](C)O)cc1F
InChIInChI=1S/C14H19FN4O3/c1-8(2)10-5-12(19-14(21)18(4)16-17-19)13(6-11(10)15)22-7-9(3)20/h5-6,8-9,20H,7H2,1-4H3/t9-/m1/s1
InChIKeyDRFROPBFALIXQI-SECBINFHSA-N
MW310.33 g/mol
LogP0.99
Rot. Bonds5

About 1-[4-fluoro-2-[(2R)-2-hydroxypropoxy]-5-propan-2-ylphenyl]-4-methyltetrazol-5-one

1-[4-fluoro-2-[(2R)-2-hydroxypropoxy]-5-propan-2-ylphenyl]-4-methyltetrazol-5-one (PubChem CID 134331823) has the molecular formula C14H19FN4O3 and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-[4-fluoro-2-[(2R)-2-hydroxypropoxy]-5-propan-2-ylphenyl]-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-[4-fluoro-2-[(2R)-2-hydroxypropoxy]-5-propan-2-ylphenyl]-4-methyltetrazol-5-one
PubChem CID134331823
Molecular FormulaC14H19FN4O3
Molecular Weight310.33 g/mol
Exact Mass310.14
IUPAC Name1-[4-fluoro-2-[(2R)-2-hydroxypropoxy]-5-propan-2-ylphenyl]-4-methyltetrazol-5-one
SMILESCC(C)c1cc(-n2nnn(C)c2=O)c(OC[C@@H](C)O)cc1F
InChIInChI=1S/C14H19FN4O3/c1-8(2)10-5-12(19-14(21)18(4)16-17-19)13(6-11(10)15)22-7-9(3)20/h5-6,8-9,20H,7H2,1-4H3/t9-/m1/s1
InChIKeyDRFROPBFALIXQI-SECBINFHSA-N
XLogP0.99
TPSA82.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-butoxy-5-methylphenyl)-N-ethyl-4-(2-fluoro-6-methoxyphenyl)-5-oxotetrazole-1-carboxamide
CID 58501937
4-(2,6-difluorophenyl)-N-ethyl-N-(5-methyl-2-propan-2-yloxyphenyl)-5-oxotetrazole-1-carboxamide
CID 58501978
N-(2-butoxy-5-methylphenyl)-4-(2,6-difluorophenyl)-N-ethyl-5-oxotetrazole-1-carboxamide
CID 58502280
N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(5-methyl-2-propan-2-yloxyphenyl)-5-oxotetrazole-1-carboxamide
CID 89828732
1-[4-Fluoro-2-(2-hydroxyethoxy)-5-methylphenyl]-4-methyltetrazol-5-one
CID 89863721
1-(4-Fluoro-2-methoxy-5-methylphenyl)-4-methyltetrazolidin-5-one
CID 89863776
1-[4-Fluoro-5-methyl-2-(oxan-4-ylmethoxy)phenyl]-4-methyltetrazol-5-one
CID 89863779
1-[4-Fluoro-2-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-5-methylphenyl]-4-methyltetrazol-5-one
CID 89863780
1-[2-(1,4-Dioxan-2-ylmethoxy)-4-fluoro-5-methylphenyl]-4-methyltetrazol-5-one
CID 89863781
Ethyl 2-[5-fluoro-4-methyl-2-(4-methyl-5-oxotetrazol-1-yl)phenoxy]propanoate
CID 89863790
1-[4-fluoro-2-[(2S)-2-methoxypropoxy]-5-methylphenyl]-4-methyltetrazol-5-one
CID 89863796
1-[4-fluoro-2-[(2S)-2-hydroxypropoxy]-5-methylphenyl]-4-methyltetrazol-5-one
CID 89863797

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[(2R)-2-hydroxypropoxy]-5-propan-2-ylphenyl]-4-methyltetrazol-5-one?
The IUPAC name of 1-[4-fluoro-2-[(2R)-2-hydroxypropoxy]-5-propan-2-ylphenyl]-4-methyltetrazol-5-one (CID 134331823) is 1-[4-fluoro-2-[(2R)-2-hydroxypropoxy]-5-propan-2-ylphenyl]-4-methyltetrazol-5-one.
What is the SMILES notation for 1-[4-fluoro-2-[(2R)-2-hydroxypropoxy]-5-propan-2-ylphenyl]-4-methyltetrazol-5-one?
The canonical SMILES for 1-[4-fluoro-2-[(2R)-2-hydroxypropoxy]-5-propan-2-ylphenyl]-4-methyltetrazol-5-one is CC(C)c1cc(-n2nnn(C)c2=O)c(OC[C@@H](C)O)cc1F.
What is the InChIKey of 1-[4-fluoro-2-[(2R)-2-hydroxypropoxy]-5-propan-2-ylphenyl]-4-methyltetrazol-5-one?
The InChIKey is DRFROPBFALIXQI-SECBINFHSA-N. The full InChI is InChI=1S/C14H19FN4O3/c1-8(2)10-5-12(19-14(21)18(4)16-17-19)13(6-11(10)15)22-7-9(3)20/h5-6,8-9,20H,7H2,1-4H3/t9-/m1/s1.
What are the key properties of 1-[4-fluoro-2-[(2R)-2-hydroxypropoxy]-5-propan-2-ylphenyl]-4-methyltetrazol-5-one?
1-[4-fluoro-2-[(2R)-2-hydroxypropoxy]-5-propan-2-ylphenyl]-4-methyltetrazol-5-one has a molecular weight of 310.33 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[(2R)-2-hydroxypropoxy]-5-propan-2-ylphenyl]-4-methyltetrazol-5-one is sourced from PubChem (CID 134331823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).