1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one

C10H14N2O3 — CID 115077121

IUPAC1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one
SMILESCC(=O)Cc1noc(C2CCOCC2)n1
InChIInChI=1S/C10H14N2O3/c1-7(13)6-9-11-10(15-12-9)8-2-4-14-5-3-8/h8H,2-6H2,1H3
InChIKeyJVYCXUOJRPVGPI-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.10
Rot. Bonds3

About 1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one

1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one (PubChem CID 115077121) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one
PubChem CID115077121
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one
SMILESCC(=O)Cc1noc(C2CCOCC2)n1
InChIInChI=1S/C10H14N2O3/c1-7(13)6-9-11-10(15-12-9)8-2-4-14-5-3-8/h8H,2-6H2,1H3
InChIKeyJVYCXUOJRPVGPI-UHFFFAOYSA-N
XLogP1.10
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62905897
2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide
CID 71970446
1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea
CID 166601372
2-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 163344677
1-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-one
CID 116895459
5-(oxan-4-yl)-3-[[(2S)-oxan-2-yl]methyl]-1,2,4-oxadiazole
CID 100676834
[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324587
2-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 115077226
1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955451
cis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine
CID 99716030
5-(oxan-4-yl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 86820422
1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096126

Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one?
The IUPAC name of 1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one (CID 115077121) is 1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one.
What is the SMILES notation for 1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one?
The canonical SMILES for 1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one is CC(=O)Cc1noc(C2CCOCC2)n1.
What is the InChIKey of 1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one?
The InChIKey is JVYCXUOJRPVGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(13)6-9-11-10(15-12-9)8-2-4-14-5-3-8/h8H,2-6H2,1H3.
What are the key properties of 1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one?
1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one has a molecular weight of 210.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one is sourced from PubChem (CID 115077121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).