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

C16H17N5O2 — CID 95776103

IUPAC(2R)-1-(2-methylphenoxy)-3-(5-pyridin-2-yltetrazol-1-yl)propan-2-ol
SMILESCc1ccccc1OC[C@H](O)Cn1nnnc1-c1ccccn1
InChIInChI=1S/C16H17N5O2/c1-12-6-2-3-8-15(12)23-11-13(22)10-21-16(18-19-20-21)14-7-4-5-9-17-14/h2-9,13,22H,10-11H2,1H3/t13-/m1/s1
InChIKeyRBAVIKBDGQAQGF-CYBMUJFWSA-N
MW311.34 g/mol
LogP1.48
Rot. Bonds6

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

(2R)-1-(2-methylphenoxy)-3-(5-pyridin-2-yltetrazol-1-yl)propan-2-ol (PubChem CID 95776103) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is (2R)-1-(2-methylphenoxy)-3-(5-pyridin-2-yltetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-methylphenoxy)-3-(5-pyridin-2-yltetrazol-1-yl)propan-2-ol
PubChem CID95776103
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name(2R)-1-(2-methylphenoxy)-3-(5-pyridin-2-yltetrazol-1-yl)propan-2-ol
SMILESCc1ccccc1OC[C@H](O)Cn1nnnc1-c1ccccn1
InChIInChI=1S/C16H17N5O2/c1-12-6-2-3-8-15(12)23-11-13(22)10-21-16(18-19-20-21)14-7-4-5-9-17-14/h2-9,13,22H,10-11H2,1H3/t13-/m1/s1
InChIKeyRBAVIKBDGQAQGF-CYBMUJFWSA-N
XLogP1.48
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol
CID 110877241
4,4-dimethyl-2-[(5-pyridin-2-yltetrazol-1-yl)methyl]pentanoic acid
CID 107475047
(2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 125135773
1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol
CID 2884521
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
hydron;1-(2-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;chloride
CID 91980777
(2R)-1-(5-tert-butyltetrazol-1-yl)-3-naphthalen-1-yloxypropan-2-ol
CID 94333689
1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60634071
(2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 819220
1-[2-hydroxy-3-(2-methylphenoxy)propyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one
CID 109412042
[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate
CID 76969657
1-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,4-diazepan-5-one
CID 110908640

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methylphenoxy)-3-(5-pyridin-2-yltetrazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(2-methylphenoxy)-3-(5-pyridin-2-yltetrazol-1-yl)propan-2-ol (CID 95776103) is (2R)-1-(2-methylphenoxy)-3-(5-pyridin-2-yltetrazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-methylphenoxy)-3-(5-pyridin-2-yltetrazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(2-methylphenoxy)-3-(5-pyridin-2-yltetrazol-1-yl)propan-2-ol is Cc1ccccc1OC[C@H](O)Cn1nnnc1-c1ccccn1.
What is the InChIKey of (2R)-1-(2-methylphenoxy)-3-(5-pyridin-2-yltetrazol-1-yl)propan-2-ol?
The InChIKey is RBAVIKBDGQAQGF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-12-6-2-3-8-15(12)23-11-13(22)10-21-16(18-19-20-21)14-7-4-5-9-17-14/h2-9,13,22H,10-11H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-(2-methylphenoxy)-3-(5-pyridin-2-yltetrazol-1-yl)propan-2-ol?
(2R)-1-(2-methylphenoxy)-3-(5-pyridin-2-yltetrazol-1-yl)propan-2-ol has a molecular weight of 311.34 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methylphenoxy)-3-(5-pyridin-2-yltetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 95776103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).