(2R)-1-phenoxy-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol

C15H15N5O2 — CID 94800635

IUPAC(2R)-1-phenoxy-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
SMILESO[C@@H](COc1ccccc1)Cn1nnc(-c2cccnc2)n1
InChIInChI=1S/C15H15N5O2/c21-13(11-22-14-6-2-1-3-7-14)10-20-18-15(17-19-20)12-5-4-8-16-9-12/h1-9,13,21H,10-11H2/t13-/m1/s1
InChIKeyPOLUAQDCLIKQKU-CYBMUJFWSA-N
MW297.32 g/mol
LogP1.17
Rot. Bonds6

About (2R)-1-phenoxy-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol

(2R)-1-phenoxy-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol (PubChem CID 94800635) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is (2R)-1-phenoxy-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-phenoxy-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
PubChem CID94800635
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name(2R)-1-phenoxy-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
SMILESO[C@@H](COc1ccccc1)Cn1nnc(-c2cccnc2)n1
InChIInChI=1S/C15H15N5O2/c21-13(11-22-14-6-2-1-3-7-14)10-20-18-15(17-19-20)12-5-4-8-16-9-12/h1-9,13,21H,10-11H2/t13-/m1/s1
InChIKeyPOLUAQDCLIKQKU-CYBMUJFWSA-N
XLogP1.17
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 60609546
(2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 30136047
1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 51094188
(2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94797788
(2R)-1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94817374
4-[2-hydroxy-3-(5-phenyltetrazol-2-yl)propoxy]benzonitrile
CID 51309608
(2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 94820762
(2R)-1-[(4-chlorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 94822276
(2S)-1-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-3-(4-phenoxyphenoxy)propan-2-ol
CID 51933554
(2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol
CID 32768070
(2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 7233521
1-(3-bromophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol
CID 110887951

Frequently Asked Questions

What is the IUPAC name of (2R)-1-phenoxy-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol?
The IUPAC name of (2R)-1-phenoxy-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol (CID 94800635) is (2R)-1-phenoxy-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-phenoxy-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol?
The canonical SMILES for (2R)-1-phenoxy-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol is O[C@@H](COc1ccccc1)Cn1nnc(-c2cccnc2)n1.
What is the InChIKey of (2R)-1-phenoxy-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol?
The InChIKey is POLUAQDCLIKQKU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15N5O2/c21-13(11-22-14-6-2-1-3-7-14)10-20-18-15(17-19-20)12-5-4-8-16-9-12/h1-9,13,21H,10-11H2/t13-/m1/s1.
What are the key properties of (2R)-1-phenoxy-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol?
(2R)-1-phenoxy-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol has a molecular weight of 297.32 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-phenoxy-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol is sourced from PubChem (CID 94800635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).