2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one

C14H14N2O3 — CID 63344313

IUPAC2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
SMILESCOc1ccccc1-c1noc(C2CCCC2=O)n1
InChIInChI=1S/C14H14N2O3/c1-18-12-8-3-2-5-10(12)13-15-14(19-16-13)9-6-4-7-11(9)17/h2-3,5,8-9H,4,6-7H2,1H3
InChIKeyFOLFLAMLUZYXRS-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.58
Rot. Bonds3

About 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one

2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one (PubChem CID 63344313) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
PubChem CID63344313
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
SMILESCOc1ccccc1-c1noc(C2CCCC2=O)n1
InChIInChI=1S/C14H14N2O3/c1-18-12-8-3-2-5-10(12)13-15-14(19-16-13)9-6-4-7-11(9)17/h2-3,5,8-9H,4,6-7H2,1H3
InChIKeyFOLFLAMLUZYXRS-UHFFFAOYSA-N
XLogP2.58
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Methoxyphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2234387
5-(2-Methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
2-(3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl)acetic acid
CID 22343321
5-(4-Methoxybenzyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 705839
3-(4-Methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 888680
5-(4-Methoxybenzyl)-3-phenyl-1,2,4-oxadiazole
CID 957143
1-{3-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-hexan-1-one
CID 3226033
N-cyclopentyl-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 1952415
N-cyclopentyl-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160364
3-(2-Methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole
CID 25256289
5-(Chloromethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 2577550
3-(4-Methoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 6462339

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one?
The IUPAC name of 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one (CID 63344313) is 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one?
The canonical SMILES for 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one is COc1ccccc1-c1noc(C2CCCC2=O)n1.
What is the InChIKey of 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one?
The InChIKey is FOLFLAMLUZYXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-12-8-3-2-5-10(12)13-15-14(19-16-13)9-6-4-7-11(9)17/h2-3,5,8-9H,4,6-7H2,1H3.
What are the key properties of 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one?
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one has a molecular weight of 258.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one is sourced from PubChem (CID 63344313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).