(1S)-1-(1,3-oxazol-4-yl)ethanol

C5H7NO2 — CID 130351873

IUPAC(1S)-1-(1,3-oxazol-4-yl)ethanol
SMILESC[C@H](O)c1cocn1
InChIInChI=1S/C5H7NO2/c1-4(7)5-2-8-3-6-5/h2-4,7H,1H3/t4-/m0/s1
InChIKeyOWJPEVHMFUFTOE-BYPYZUCNSA-N
MW113.12 g/mol
LogP0.73
Rot. Bonds1

About (1S)-1-(1,3-oxazol-4-yl)ethanol

(1S)-1-(1,3-oxazol-4-yl)ethanol (PubChem CID 130351873) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is (1S)-1-(1,3-oxazol-4-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(1,3-oxazol-4-yl)ethanol
PubChem CID130351873
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name(1S)-1-(1,3-oxazol-4-yl)ethanol
SMILESC[C@H](O)c1cocn1
InChIInChI=1S/C5H7NO2/c1-4(7)5-2-8-3-6-5/h2-4,7H,1H3/t4-/m0/s1
InChIKeyOWJPEVHMFUFTOE-BYPYZUCNSA-N
XLogP0.73
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Oxazol-4-ylmethanol
CID 15930578
1-(1,3-Oxazol-4-yl)ethan-1-ol
CID 17813802
4-Ethyl-1,3-oxazole
CID 17942984
2-(2-Chloro-1,3-oxazol-4-yl)propan-2-ol
CID 72214564
(1R)-1-(1,3-oxazol-4-yl)ethan-1-ol
CID 130351725
2,2-Dimethyl-1-(1,3-oxazol-4-yl)propan-1-ol
CID 44574372
(1R)-1-(1,3-oxazol-4-yl)propan-1-ol
CID 178199917
(1S)-1-(1,3-oxazol-4-yl)propan-1-ol
CID 178199954
4,4,4-Trifluoro-1-(oxazol-4-yl)butan-1-ol
CID 118196770
2,2,2-Trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol
CID 122677791
2,2-Difluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol
CID 131498318
1-[2-(Trifluoromethyl)-1,3-oxazol-4-yl]ethanol
CID 84657687

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1,3-oxazol-4-yl)ethanol?
The IUPAC name of (1S)-1-(1,3-oxazol-4-yl)ethanol (CID 130351873) is (1S)-1-(1,3-oxazol-4-yl)ethanol.
What is the SMILES notation for (1S)-1-(1,3-oxazol-4-yl)ethanol?
The canonical SMILES for (1S)-1-(1,3-oxazol-4-yl)ethanol is C[C@H](O)c1cocn1.
What is the InChIKey of (1S)-1-(1,3-oxazol-4-yl)ethanol?
The InChIKey is OWJPEVHMFUFTOE-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H7NO2/c1-4(7)5-2-8-3-6-5/h2-4,7H,1H3/t4-/m0/s1.
What are the key properties of (1S)-1-(1,3-oxazol-4-yl)ethanol?
(1S)-1-(1,3-oxazol-4-yl)ethanol has a molecular weight of 113.12 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1,3-oxazol-4-yl)ethanol is sourced from PubChem (CID 130351873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).