2-phenylmethoxy-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone

C21H21N3O3 — CID 42765325

IUPAC2-phenylmethoxy-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(COCc1ccccc1)N1CCCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C21H21N3O3/c25-19(15-26-14-16-8-3-1-4-9-16)24-13-7-12-18(24)21-22-20(23-27-21)17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2
InChIKeyPILVFBPFDBABRT-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.62
Rot. Bonds6

About 2-phenylmethoxy-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone

2-phenylmethoxy-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 42765325) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-phenylmethoxy-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenylmethoxy-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID42765325
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-phenylmethoxy-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(COCc1ccccc1)N1CCCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C21H21N3O3/c25-19(15-26-14-16-8-3-1-4-9-16)24-13-7-12-18(24)21-22-20(23-27-21)17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2
InChIKeyPILVFBPFDBABRT-UHFFFAOYSA-N
XLogP3.62
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone
CID 42760371
2-phenyl-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124625631
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pentan-1-one
CID 4992104
1-[(2R)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 813005
2-(4-methoxyphenyl)-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 125128716
2-(2-chlorophenyl)-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 98042141
1-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 91888653
cyclopentyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 42765321
2-(3,4-dimethoxyphenyl)-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 125125950
7-amino-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]heptan-1-one
CID 119770964
1-[2-oxo-2-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]piperidin-2-one
CID 96580102
2-(cyclopropylmethylamino)-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone;hydrochloride
CID 119770979

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-phenylmethoxy-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone (CID 42765325) is 2-phenylmethoxy-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-phenylmethoxy-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-phenylmethoxy-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone is O=C(COCc1ccccc1)N1CCCC1c1nc(-c2ccccc2)no1.
What is the InChIKey of 2-phenylmethoxy-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is PILVFBPFDBABRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-19(15-26-14-16-8-3-1-4-9-16)24-13-7-12-18(24)21-22-20(23-27-21)17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2.
What are the key properties of 2-phenylmethoxy-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
2-phenylmethoxy-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 363.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 42765325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).