1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one

C7H10N2O2 — CID 12955452

IUPAC1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one
SMILESCCc1nc(CC(C)=O)no1
InChIInChI=1S/C7H10N2O2/c1-3-7-8-6(9-11-7)4-5(2)10/h3-4H2,1-2H3
InChIKeyMDQRNYXUFAGRKW-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.76
Rot. Bonds3

About 1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one

1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one (PubChem CID 12955452) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one
PubChem CID12955452
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one
SMILESCCc1nc(CC(C)=O)no1
InChIInChI=1S/C7H10N2O2/c1-3-7-8-6(9-11-7)4-5(2)10/h3-4H2,1-2H3
InChIKeyMDQRNYXUFAGRKW-UHFFFAOYSA-N
XLogP0.76
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955451
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-one
CID 115495429
1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 65130266
1-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115079073
5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole
CID 64787979
3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole
CID 19928671
(5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol
CID 130569000
2-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 143940575
1-[5-[(3-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078829
1-[5-[(1,1-dioxothiolan-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078149
1-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078529
N'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687933

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one?
The IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one (CID 12955452) is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one?
The canonical SMILES for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one is CCc1nc(CC(C)=O)no1.
What is the InChIKey of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one?
The InChIKey is MDQRNYXUFAGRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-7-8-6(9-11-7)4-5(2)10/h3-4H2,1-2H3.
What are the key properties of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one?
1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one has a molecular weight of 154.17 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one is sourced from PubChem (CID 12955452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).