(5-ethyl-1,3-oxazol-2-yl)methanol

C6H9NO2 — CID 105427307

IUPAC(5-ethyl-1,3-oxazol-2-yl)methanol
SMILESCCc1cnc(CO)o1
InChIInChI=1S/C6H9NO2/c1-2-5-3-7-6(4-8)9-5/h3,8H,2,4H2,1H3
InChIKeyITHYTRRURGUBCW-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.73
Rot. Bonds2

About (5-ethyl-1,3-oxazol-2-yl)methanol

(5-ethyl-1,3-oxazol-2-yl)methanol (PubChem CID 105427307) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (5-ethyl-1,3-oxazol-2-yl)methanol.

Molecular Properties

Compound Name(5-ethyl-1,3-oxazol-2-yl)methanol
PubChem CID105427307
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(5-ethyl-1,3-oxazol-2-yl)methanol
SMILESCCc1cnc(CO)o1
InChIInChI=1S/C6H9NO2/c1-2-5-3-7-6(4-8)9-5/h3,8H,2,4H2,1H3
InChIKeyITHYTRRURGUBCW-UHFFFAOYSA-N
XLogP0.73
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,3-oxazol-2-yl)methanol?
The IUPAC name of (5-ethyl-1,3-oxazol-2-yl)methanol (CID 105427307) is (5-ethyl-1,3-oxazol-2-yl)methanol.
What is the SMILES notation for (5-ethyl-1,3-oxazol-2-yl)methanol?
The canonical SMILES for (5-ethyl-1,3-oxazol-2-yl)methanol is CCc1cnc(CO)o1.
What is the InChIKey of (5-ethyl-1,3-oxazol-2-yl)methanol?
The InChIKey is ITHYTRRURGUBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-5-3-7-6(4-8)9-5/h3,8H,2,4H2,1H3.
What are the key properties of (5-ethyl-1,3-oxazol-2-yl)methanol?
(5-ethyl-1,3-oxazol-2-yl)methanol has a molecular weight of 127.14 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,3-oxazol-2-yl)methanol is sourced from PubChem (CID 105427307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).