(2S)-1-(4-fluorophenoxy)-3-[5-(furan-2-yl)tetrazol-2-yl]propan-2-ol

C14H13FN4O3 — CID 124626127

IUPAC(2S)-1-(4-fluorophenoxy)-3-[5-(furan-2-yl)tetrazol-2-yl]propan-2-ol
SMILESO[C@H](COc1ccc(F)cc1)Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C14H13FN4O3/c15-10-3-5-12(6-4-10)22-9-11(20)8-19-17-14(16-18-19)13-2-1-7-21-13/h1-7,11,20H,8-9H2/t11-/m0/s1
InChIKeyJPZGLUAHVRRMIM-NSHDSACASA-N
MW304.28 g/mol
LogP1.51
Rot. Bonds6

About (2S)-1-(4-fluorophenoxy)-3-[5-(furan-2-yl)tetrazol-2-yl]propan-2-ol

(2S)-1-(4-fluorophenoxy)-3-[5-(furan-2-yl)tetrazol-2-yl]propan-2-ol (PubChem CID 124626127) has the molecular formula C14H13FN4O3 and a molecular weight of 304.28 g/mol. Its IUPAC name is (2S)-1-(4-fluorophenoxy)-3-[5-(furan-2-yl)tetrazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-fluorophenoxy)-3-[5-(furan-2-yl)tetrazol-2-yl]propan-2-ol
PubChem CID124626127
Molecular FormulaC14H13FN4O3
Molecular Weight304.28 g/mol
Exact Mass304.10
IUPAC Name(2S)-1-(4-fluorophenoxy)-3-[5-(furan-2-yl)tetrazol-2-yl]propan-2-ol
SMILESO[C@H](COc1ccc(F)cc1)Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C14H13FN4O3/c15-10-3-5-12(6-4-10)22-9-11(20)8-19-17-14(16-18-19)13-2-1-7-21-13/h1-7,11,20H,8-9H2/t11-/m0/s1
InChIKeyJPZGLUAHVRRMIM-NSHDSACASA-N
XLogP1.51
TPSA86.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-1-(4-fluorophenoxy)-3-[5-(furan-2-yl)tetrazol-2-yl]propan-2-ol 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 (2S)-1-(4-fluorophenoxy)-3-[5-(furan-2-yl)tetrazol-2-yl]propan-2-ol?
The IUPAC name of (2S)-1-(4-fluorophenoxy)-3-[5-(furan-2-yl)tetrazol-2-yl]propan-2-ol (CID 124626127) is (2S)-1-(4-fluorophenoxy)-3-[5-(furan-2-yl)tetrazol-2-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(4-fluorophenoxy)-3-[5-(furan-2-yl)tetrazol-2-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(4-fluorophenoxy)-3-[5-(furan-2-yl)tetrazol-2-yl]propan-2-ol is O[C@H](COc1ccc(F)cc1)Cn1nnc(-c2ccco2)n1.
What is the InChIKey of (2S)-1-(4-fluorophenoxy)-3-[5-(furan-2-yl)tetrazol-2-yl]propan-2-ol?
The InChIKey is JPZGLUAHVRRMIM-NSHDSACASA-N. The full InChI is InChI=1S/C14H13FN4O3/c15-10-3-5-12(6-4-10)22-9-11(20)8-19-17-14(16-18-19)13-2-1-7-21-13/h1-7,11,20H,8-9H2/t11-/m0/s1.
What are the key properties of (2S)-1-(4-fluorophenoxy)-3-[5-(furan-2-yl)tetrazol-2-yl]propan-2-ol?
(2S)-1-(4-fluorophenoxy)-3-[5-(furan-2-yl)tetrazol-2-yl]propan-2-ol has a molecular weight of 304.28 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluorophenoxy)-3-[5-(furan-2-yl)tetrazol-2-yl]propan-2-ol is sourced from PubChem (CID 124626127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).