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

C15H17N3O3 — CID 124891776

IUPAC2-(2-methoxyphenyl)-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CC[C@@H](c2ncon2)C1
InChIInChI=1S/C15H17N3O3/c1-20-13-5-3-2-4-11(13)8-14(19)18-7-6-12(9-18)15-16-10-21-17-15/h2-5,10,12H,6-9H2,1H3/t12-/m1/s1
InChIKeyGNPHZUPFVRVRKM-GFCCVEGCSA-N
MW287.32 g/mol
LogP1.64
Rot. Bonds4

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

2-(2-methoxyphenyl)-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone (PubChem CID 124891776) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
PubChem CID124891776
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-(2-methoxyphenyl)-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CC[C@@H](c2ncon2)C1
InChIInChI=1S/C15H17N3O3/c1-20-13-5-3-2-4-11(13)8-14(19)18-7-6-12(9-18)15-16-10-21-17-15/h2-5,10,12H,6-9H2,1H3/t12-/m1/s1
InChIKeyGNPHZUPFVRVRKM-GFCCVEGCSA-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-(3-methoxyphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 124891852
2-ethoxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 124760303
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
2-(2-methoxyphenyl)-1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70718807
8-methoxy-3-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]chromen-2-one
CID 129416514
2-(2-methoxyphenyl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone
CID 124971378
4-[(3R)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136819876
4-[1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136760277
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 63765744
1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 124760800
2-(2-methoxyphenyl)-1-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616146

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone (CID 124891776) is 2-(2-methoxyphenyl)-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone is COc1ccccc1CC(=O)N1CC[C@@H](c2ncon2)C1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is GNPHZUPFVRVRKM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-13-5-3-2-4-11(13)8-14(19)18-7-6-12(9-18)15-16-10-21-17-15/h2-5,10,12H,6-9H2,1H3/t12-/m1/s1.
What are the key properties of 2-(2-methoxyphenyl)-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
2-(2-methoxyphenyl)-1-[(3R)-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-(2-methoxyphenyl)-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124891776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).