2-[6-[[5-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]-2-pyridinyl]propan-2-ol

C16H22N2O2 — CID 164738508

IUPAC2-[6-[[5-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]-2-pyridinyl]propan-2-ol
SMILESCC(C)Cc1cnc(Cc2cccc(C(C)(C)O)n2)o1
InChIInChI=1S/C16H22N2O2/c1-11(2)8-13-10-17-15(20-13)9-12-6-5-7-14(18-12)16(3,4)19/h5-7,10-11,19H,8-9H2,1-4H3
InChIKeyJOEYFNDMJTVTSS-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.09
Rot. Bonds5

About 2-[6-[[5-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]-2-pyridinyl]propan-2-ol

2-[6-[[5-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]-2-pyridinyl]propan-2-ol (PubChem CID 164738508) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[6-[[5-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[[5-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]-2-pyridinyl]propan-2-ol
PubChem CID164738508
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[6-[[5-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]-2-pyridinyl]propan-2-ol
SMILESCC(C)Cc1cnc(Cc2cccc(C(C)(C)O)n2)o1
InChIInChI=1S/C16H22N2O2/c1-11(2)8-13-10-17-15(20-13)9-12-6-5-7-14(18-12)16(3,4)19/h5-7,10-11,19H,8-9H2,1-4H3
InChIKeyJOEYFNDMJTVTSS-UHFFFAOYSA-N
XLogP3.09
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[5-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[[5-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]-2-pyridinyl]propan-2-ol (CID 164738508) is 2-[6-[[5-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[[5-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[[5-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]-2-pyridinyl]propan-2-ol is CC(C)Cc1cnc(Cc2cccc(C(C)(C)O)n2)o1.
What is the InChIKey of 2-[6-[[5-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]-2-pyridinyl]propan-2-ol?
The InChIKey is JOEYFNDMJTVTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)8-13-10-17-15(20-13)9-12-6-5-7-14(18-12)16(3,4)19/h5-7,10-11,19H,8-9H2,1-4H3.
What are the key properties of 2-[6-[[5-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]-2-pyridinyl]propan-2-ol?
2-[6-[[5-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]-2-pyridinyl]propan-2-ol has a molecular weight of 274.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[5-(2-methylpropyl)-1,3-oxazol-2-yl]methyl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 164738508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).