(2R)-1-[(4-chlorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol

C16H16ClN5O2 — CID 94822276

IUPAC(2R)-1-[(4-chlorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
SMILESO[C@@H](COCc1ccc(Cl)cc1)Cn1nnc(-c2cccnc2)n1
InChIInChI=1S/C16H16ClN5O2/c17-14-5-3-12(4-6-14)10-24-11-15(23)9-22-20-16(19-21-22)13-2-1-7-18-8-13/h1-8,15,23H,9-11H2/t15-/m1/s1
InChIKeyHTIBWKTZNXCJQR-OAHLLOKOSA-N
MW345.79 g/mol
LogP1.97
Rot. Bonds7

About (2R)-1-[(4-chlorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol

(2R)-1-[(4-chlorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol (PubChem CID 94822276) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is (2R)-1-[(4-chlorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4-chlorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
PubChem CID94822276
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC Name(2R)-1-[(4-chlorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
SMILESO[C@@H](COCc1ccc(Cl)cc1)Cn1nnc(-c2cccnc2)n1
InChIInChI=1S/C16H16ClN5O2/c17-14-5-3-12(4-6-14)10-24-11-15(23)9-22-20-16(19-21-22)13-2-1-7-18-8-13/h1-8,15,23H,9-11H2/t15-/m1/s1
InChIKeyHTIBWKTZNXCJQR-OAHLLOKOSA-N
XLogP1.97
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[(4-chlorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol with MolForge

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Related Compounds

(2S)-1-[(4-chlorophenyl)methoxy]-3-[5-(4-chlorophenyl)tetrazol-2-yl]propan-2-ol
CID 32556840
(2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 94820762
(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
(2R)-1-[(4-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1,2,4-triazol-1-yl)propan-2-ol
CID 99780430
3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]pyridine
CID 16763011
(2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol
CID 32768070
1-[(4-chlorophenyl)methoxy]-3-(4-chloropyrazol-1-yl)propan-2-ol
CID 109411868
4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 24654123
1-(3-bromophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol
CID 110887951
1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 16553417
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(pyridin-3-ylmethoxy)acetamide
CID 166231317

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-chlorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol?
The IUPAC name of (2R)-1-[(4-chlorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol (CID 94822276) is (2R)-1-[(4-chlorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-[(4-chlorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol?
The canonical SMILES for (2R)-1-[(4-chlorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol is O[C@@H](COCc1ccc(Cl)cc1)Cn1nnc(-c2cccnc2)n1.
What is the InChIKey of (2R)-1-[(4-chlorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol?
The InChIKey is HTIBWKTZNXCJQR-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c17-14-5-3-12(4-6-14)10-24-11-15(23)9-22-20-16(19-21-22)13-2-1-7-18-8-13/h1-8,15,23H,9-11H2/t15-/m1/s1.
What are the key properties of (2R)-1-[(4-chlorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol?
(2R)-1-[(4-chlorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol has a molecular weight of 345.79 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-chlorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol is sourced from PubChem (CID 94822276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).