2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1-pyridin-3-ylethanol

C16H16N2O2 — CID 14899368

IUPAC2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1-pyridin-3-ylethanol
SMILESOC(CC1CC(c2ccccc2)=NO1)c1cccnc1
InChIInChI=1S/C16H16N2O2/c19-16(13-7-4-8-17-11-13)10-14-9-15(18-20-14)12-5-2-1-3-6-12/h1-8,11,14,16,19H,9-10H2
InChIKeyJGLWBVZNYNQTDU-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.70
Rot. Bonds4

About 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1-pyridin-3-ylethanol

2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1-pyridin-3-ylethanol (PubChem CID 14899368) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1-pyridin-3-ylethanol
PubChem CID14899368
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1-pyridin-3-ylethanol
SMILESOC(CC1CC(c2ccccc2)=NO1)c1cccnc1
InChIInChI=1S/C16H16N2O2/c19-16(13-7-4-8-17-11-13)10-14-9-15(18-20-14)12-5-2-1-3-6-12/h1-8,11,14,16,19H,9-10H2
InChIKeyJGLWBVZNYNQTDU-UHFFFAOYSA-N
XLogP2.70
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-phenyl-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 11471142
5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 72741218
2-cyclohexyl-1-pyridin-3-ylethanol
CID 22768104
N-[4-[ethylamino(phenyl)methyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide
CID 139923399
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
CID 569092
(2S)-1-[methyl-[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]pentan-2-ol
CID 93177694
5-octyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
CID 91719391
(1R)-1-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
CID 15668474
(1S)-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
CID 15668475
(2R)-1-methoxy-3-[methyl-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]propan-2-ol
CID 98629894
N-(4-benzoylphenyl)-2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl]acetamide
CID 139923407

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1-pyridin-3-ylethanol?
The IUPAC name of 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1-pyridin-3-ylethanol (CID 14899368) is 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1-pyridin-3-ylethanol?
The canonical SMILES for 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1-pyridin-3-ylethanol is OC(CC1CC(c2ccccc2)=NO1)c1cccnc1.
What is the InChIKey of 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1-pyridin-3-ylethanol?
The InChIKey is JGLWBVZNYNQTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16(13-7-4-8-17-11-13)10-14-9-15(18-20-14)12-5-2-1-3-6-12/h1-8,11,14,16,19H,9-10H2.
What are the key properties of 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1-pyridin-3-ylethanol?
2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1-pyridin-3-ylethanol has a molecular weight of 268.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1-pyridin-3-ylethanol is sourced from PubChem (CID 14899368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).