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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).