1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-one

C11H16N2O3 — CID 63346911

IUPAC1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-one
SMILESCOCC(=O)Cc1nc(C2CCCC2)no1
InChIInChI=1S/C11H16N2O3/c1-15-7-9(14)6-10-12-11(13-16-10)8-4-2-3-5-8/h8H,2-7H2,1H3
InChIKeyGYYVHDORVXUQIE-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.49
Rot. Bonds5

About 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-one

1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-one (PubChem CID 63346911) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-one
PubChem CID63346911
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-one
SMILESCOCC(=O)Cc1nc(C2CCCC2)no1
InChIInChI=1S/C11H16N2O3/c1-15-7-9(14)6-10-12-11(13-16-10)8-4-2-3-5-8/h8H,2-7H2,1H3
InChIKeyGYYVHDORVXUQIE-UHFFFAOYSA-N
XLogP1.49
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346866
1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
CID 65351799
1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
CID 65405086
3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one
CID 55202191
1-methoxy-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 106446024
methyl 2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79475090
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
3-cyclopentyl-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1,2,4-oxadiazole
CID 167809736
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345119
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol
CID 63345168
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 64982441

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-one?
The IUPAC name of 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-one (CID 63346911) is 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-one.
What is the SMILES notation for 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-one?
The canonical SMILES for 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-one is COCC(=O)Cc1nc(C2CCCC2)no1.
What is the InChIKey of 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-one?
The InChIKey is GYYVHDORVXUQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-15-7-9(14)6-10-12-11(13-16-10)8-4-2-3-5-8/h8H,2-7H2,1H3.
What are the key properties of 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-one?
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-one has a molecular weight of 224.26 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-one is sourced from PubChem (CID 63346911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).