1,2-oxazol-4-yl(pyridin-3-yl)methanol

C9H8N2O2 — CID 91481512

IUPAC1,2-oxazol-4-yl(pyridin-3-yl)methanol
SMILESOC(c1cccnc1)c1cnoc1
InChIInChI=1S/C9H8N2O2/c12-9(8-5-11-13-6-8)7-2-1-3-10-4-7/h1-6,9,12H
InChIKeyQANNHGRJEFGMRV-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.15
Rot. Bonds2

About 1,2-oxazol-4-yl(pyridin-3-yl)methanol

1,2-oxazol-4-yl(pyridin-3-yl)methanol (PubChem CID 91481512) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 1,2-oxazol-4-yl(pyridin-3-yl)methanol.

Molecular Properties

Compound Name1,2-oxazol-4-yl(pyridin-3-yl)methanol
PubChem CID91481512
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name1,2-oxazol-4-yl(pyridin-3-yl)methanol
SMILESOC(c1cccnc1)c1cnoc1
InChIInChI=1S/C9H8N2O2/c12-9(8-5-11-13-6-8)7-2-1-3-10-4-7/h1-6,9,12H
InChIKeyQANNHGRJEFGMRV-UHFFFAOYSA-N
XLogP1.15
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-3-yl(pyrimidin-2-yl)methanol
CID 54244340
(3,5-dichlorophenyl)-pyridin-3-ylmethanol
CID 63900537
(R)-(5-methylfuran-2-yl)-pyridin-3-ylmethanol
CID 681019
(S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol
CID 129369618
(S)-pyridin-2-yl(pyridin-3-yl)methanol
CID 86315351
(4-propylphenyl)-pyridin-3-ylmethanol
CID 61087023
3-[hydroxy(pyridin-3-yl)methyl]benzonitrile
CID 14989408
1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63895689
[4-(diethoxymethyl)phenyl]-pyridin-3-ylmethanol
CID 10401799
(4-bromo-3-methylphenyl)-pyridin-3-ylmethanol
CID 81447903
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-4-yl(pyridin-3-yl)methanol?
The IUPAC name of 1,2-oxazol-4-yl(pyridin-3-yl)methanol (CID 91481512) is 1,2-oxazol-4-yl(pyridin-3-yl)methanol.
What is the SMILES notation for 1,2-oxazol-4-yl(pyridin-3-yl)methanol?
The canonical SMILES for 1,2-oxazol-4-yl(pyridin-3-yl)methanol is OC(c1cccnc1)c1cnoc1.
What is the InChIKey of 1,2-oxazol-4-yl(pyridin-3-yl)methanol?
The InChIKey is QANNHGRJEFGMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-9(8-5-11-13-6-8)7-2-1-3-10-4-7/h1-6,9,12H.
What are the key properties of 1,2-oxazol-4-yl(pyridin-3-yl)methanol?
1,2-oxazol-4-yl(pyridin-3-yl)methanol has a molecular weight of 176.17 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-4-yl(pyridin-3-yl)methanol is sourced from PubChem (CID 91481512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).