ethane;1-(5-methyl-1,3-oxazol-4-yl)ethanol

C10H21NO2 — CID 145061110

IUPACethane;1-(5-methyl-1,3-oxazol-4-yl)ethanol
SMILESCC.CC.Cc1ocnc1C(C)O
InChIInChI=1S/C6H9NO2.2C2H6/c1-4(8)6-5(2)9-3-7-6;2*1-2/h3-4,8H,1-2H3;2*1-2H3
InChIKeyMCUPGPYGXWYLIO-UHFFFAOYSA-N
MW187.28 g/mol
LogP3.09
Rot. Bonds1

About ethane;1-(5-methyl-1,3-oxazol-4-yl)ethanol

ethane;1-(5-methyl-1,3-oxazol-4-yl)ethanol (PubChem CID 145061110) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethane;1-(5-methyl-1,3-oxazol-4-yl)ethanol.

Molecular Properties

Compound Nameethane;1-(5-methyl-1,3-oxazol-4-yl)ethanol
PubChem CID145061110
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethane;1-(5-methyl-1,3-oxazol-4-yl)ethanol
SMILESCC.CC.Cc1ocnc1C(C)O
InChIInChI=1S/C6H9NO2.2C2H6/c1-4(8)6-5(2)9-3-7-6;2*1-2/h3-4,8H,1-2H3;2*1-2H3
InChIKeyMCUPGPYGXWYLIO-UHFFFAOYSA-N
XLogP3.09
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(5-methyl-1,3-oxazol-4-yl)ethanol?
The IUPAC name of ethane;1-(5-methyl-1,3-oxazol-4-yl)ethanol (CID 145061110) is ethane;1-(5-methyl-1,3-oxazol-4-yl)ethanol.
What is the SMILES notation for ethane;1-(5-methyl-1,3-oxazol-4-yl)ethanol?
The canonical SMILES for ethane;1-(5-methyl-1,3-oxazol-4-yl)ethanol is CC.CC.Cc1ocnc1C(C)O.
What is the InChIKey of ethane;1-(5-methyl-1,3-oxazol-4-yl)ethanol?
The InChIKey is MCUPGPYGXWYLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2.2C2H6/c1-4(8)6-5(2)9-3-7-6;2*1-2/h3-4,8H,1-2H3;2*1-2H3.
What are the key properties of ethane;1-(5-methyl-1,3-oxazol-4-yl)ethanol?
ethane;1-(5-methyl-1,3-oxazol-4-yl)ethanol has a molecular weight of 187.28 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(5-methyl-1,3-oxazol-4-yl)ethanol is sourced from PubChem (CID 145061110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).