(2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol

C16H16FN5O2 — CID 94820762

IUPAC(2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
SMILESO[C@H](COCc1ccccc1F)Cn1nnc(-c2cccnc2)n1
InChIInChI=1S/C16H16FN5O2/c17-15-6-2-1-4-13(15)10-24-11-14(23)9-22-20-16(19-21-22)12-5-3-7-18-8-12/h1-8,14,23H,9-11H2/t14-/m0/s1
InChIKeyKDTYSCKVMDZJSP-AWEZNQCLSA-N
MW329.34 g/mol
LogP1.45
Rot. Bonds7

About (2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol

(2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol (PubChem CID 94820762) has the molecular formula C16H16FN5O2 and a molecular weight of 329.34 g/mol. Its IUPAC name is (2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
PubChem CID94820762
Molecular FormulaC16H16FN5O2
Molecular Weight329.34 g/mol
Exact Mass329.13
IUPAC Name(2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
SMILESO[C@H](COCc1ccccc1F)Cn1nnc(-c2cccnc2)n1
InChIInChI=1S/C16H16FN5O2/c17-15-6-2-1-4-13(15)10-24-11-14(23)9-22-20-16(19-21-22)12-5-3-7-18-8-12/h1-8,14,23H,9-11H2/t14-/m0/s1
InChIKeyKDTYSCKVMDZJSP-AWEZNQCLSA-N
XLogP1.45
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol with MolForge

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Related Compounds

(2R)-1-[(4-chlorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 94822276
(2R)-1-phenoxy-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 94800635
1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 60609546
1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol
CID 110877245
1-(5-tert-butyltetrazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 71938129
1-[(2-fluorophenyl)methoxy]-3-(4-phenylpyrazol-1-yl)propan-2-ol
CID 109411586
1-[(2-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
CID 110877328
4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 24654123
1-[(2-fluorophenyl)methoxy]-3-(2-phenylimidazol-1-yl)propan-2-ol
CID 111440098
(2S)-1-[(4-chlorophenyl)methoxy]-3-[5-(4-chlorophenyl)tetrazol-2-yl]propan-2-ol
CID 32556840
(2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94797788
3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 56823718

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol?
The IUPAC name of (2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol (CID 94820762) is (2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol?
The canonical SMILES for (2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol is O[C@H](COCc1ccccc1F)Cn1nnc(-c2cccnc2)n1.
What is the InChIKey of (2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol?
The InChIKey is KDTYSCKVMDZJSP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16FN5O2/c17-15-6-2-1-4-13(15)10-24-11-14(23)9-22-20-16(19-21-22)12-5-3-7-18-8-12/h1-8,14,23H,9-11H2/t14-/m0/s1.
What are the key properties of (2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol?
(2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol has a molecular weight of 329.34 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol is sourced from PubChem (CID 94820762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).