(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethanol

C6H9NO2 — CID 13321091

IUPAC(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethanol
SMILESCc1cc([C@H](C)O)no1
InChIInChI=1S/C6H9NO2/c1-4-3-6(5(2)8)7-9-4/h3,5,8H,1-2H3/t5-/m0/s1
InChIKeyBRPQABWKQYZYQC-YFKPBYRVSA-N
MW127.14 g/mol
LogP1.04
Rot. Bonds1

About (1S)-1-(5-methyl-1,2-oxazol-3-yl)ethanol

(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethanol (PubChem CID 13321091) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (1S)-1-(5-methyl-1,2-oxazol-3-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethanol
PubChem CID13321091
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethanol
SMILESCc1cc([C@H](C)O)no1
InChIInChI=1S/C6H9NO2/c1-4-3-6(5(2)8)7-9-4/h3,5,8H,1-2H3/t5-/m0/s1
InChIKeyBRPQABWKQYZYQC-YFKPBYRVSA-N
XLogP1.04
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-methyl-1,2-oxazol-3-yl)ethanol?
The IUPAC name of (1S)-1-(5-methyl-1,2-oxazol-3-yl)ethanol (CID 13321091) is (1S)-1-(5-methyl-1,2-oxazol-3-yl)ethanol.
What is the SMILES notation for (1S)-1-(5-methyl-1,2-oxazol-3-yl)ethanol?
The canonical SMILES for (1S)-1-(5-methyl-1,2-oxazol-3-yl)ethanol is Cc1cc([C@H](C)O)no1.
What is the InChIKey of (1S)-1-(5-methyl-1,2-oxazol-3-yl)ethanol?
The InChIKey is BRPQABWKQYZYQC-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4-3-6(5(2)8)7-9-4/h3,5,8H,1-2H3/t5-/m0/s1.
What are the key properties of (1S)-1-(5-methyl-1,2-oxazol-3-yl)ethanol?
(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethanol has a molecular weight of 127.14 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-methyl-1,2-oxazol-3-yl)ethanol is sourced from PubChem (CID 13321091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).