ethane;1-(2-ethyl-5-methyl-1,3-oxazol-4-yl)ethanone

C10H17NO2 — CID 143224861

IUPACethane;1-(2-ethyl-5-methyl-1,3-oxazol-4-yl)ethanone
SMILESCC.CCc1nc(C(C)=O)c(C)o1
InChIInChI=1S/C8H11NO2.C2H6/c1-4-7-9-8(5(2)10)6(3)11-7;1-2/h4H2,1-3H3;1-2H3
InChIKeyRSCWCLQQXXMLTQ-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.77
Rot. Bonds2

About ethane;1-(2-ethyl-5-methyl-1,3-oxazol-4-yl)ethanone

ethane;1-(2-ethyl-5-methyl-1,3-oxazol-4-yl)ethanone (PubChem CID 143224861) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethane;1-(2-ethyl-5-methyl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(2-ethyl-5-methyl-1,3-oxazol-4-yl)ethanone
PubChem CID143224861
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethane;1-(2-ethyl-5-methyl-1,3-oxazol-4-yl)ethanone
SMILESCC.CCc1nc(C(C)=O)c(C)o1
InChIInChI=1S/C8H11NO2.C2H6/c1-4-7-9-8(5(2)10)6(3)11-7;1-2/h4H2,1-3H3;1-2H3
InChIKeyRSCWCLQQXXMLTQ-UHFFFAOYSA-N
XLogP2.77
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-ethyl-5-methyl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of ethane;1-(2-ethyl-5-methyl-1,3-oxazol-4-yl)ethanone (CID 143224861) is ethane;1-(2-ethyl-5-methyl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for ethane;1-(2-ethyl-5-methyl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for ethane;1-(2-ethyl-5-methyl-1,3-oxazol-4-yl)ethanone is CC.CCc1nc(C(C)=O)c(C)o1.
What is the InChIKey of ethane;1-(2-ethyl-5-methyl-1,3-oxazol-4-yl)ethanone?
The InChIKey is RSCWCLQQXXMLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.C2H6/c1-4-7-9-8(5(2)10)6(3)11-7;1-2/h4H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(2-ethyl-5-methyl-1,3-oxazol-4-yl)ethanone?
ethane;1-(2-ethyl-5-methyl-1,3-oxazol-4-yl)ethanone has a molecular weight of 183.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-ethyl-5-methyl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 143224861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).