2-(3-methoxyphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone

C15H17N3O3 — CID 124891852

IUPAC2-(3-methoxyphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCOc1cccc(CC(=O)N2CC[C@H](c3ncon3)C2)c1
InChIInChI=1S/C15H17N3O3/c1-20-13-4-2-3-11(7-13)8-14(19)18-6-5-12(9-18)15-16-10-21-17-15/h2-4,7,10,12H,5-6,8-9H2,1H3/t12-/m0/s1
InChIKeyILRCVQAWHANRCI-LBPRGKRZSA-N
MW287.32 g/mol
LogP1.64
Rot. Bonds4

About 2-(3-methoxyphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone

2-(3-methoxyphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone (PubChem CID 124891852) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
PubChem CID124891852
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-(3-methoxyphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCOc1cccc(CC(=O)N2CC[C@H](c3ncon3)C2)c1
InChIInChI=1S/C15H17N3O3/c1-20-13-4-2-3-11(7-13)8-14(19)18-6-5-12(9-18)15-16-10-21-17-15/h2-4,7,10,12H,5-6,8-9H2,1H3/t12-/m0/s1
InChIKeyILRCVQAWHANRCI-LBPRGKRZSA-N
XLogP1.64
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 124891776
1-[(3S)-3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 92549786
2-(3-methoxyphenyl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
CID 53121815
1-[3-(bromomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 80667787
2-ethoxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 124760303
2-(3-methoxyphenyl)-1-[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 1454443
2-(3-methoxyphenyl)-1-[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 95112565
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;hydrochloride
CID 120727726
2-(3-methoxyphenyl)-1-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 124991502
2-(3-methoxyphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119538365
1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;hydrochloride
CID 119464795
1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 62371471

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone (CID 124891852) is 2-(3-methoxyphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone is COc1cccc(CC(=O)N2CC[C@H](c3ncon3)C2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is ILRCVQAWHANRCI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-13-4-2-3-11(7-13)8-14(19)18-6-5-12(9-18)15-16-10-21-17-15/h2-4,7,10,12H,5-6,8-9H2,1H3/t12-/m0/s1.
What are the key properties of 2-(3-methoxyphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
2-(3-methoxyphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 287.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124891852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).