[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone

C21H25N3O4 — CID 124884052

IUPAC[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
SMILESO=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CC[C@@H](c2nc(C3CC3)no2)C1
InChIInChI=1S/C21H25N3O4/c25-21(15-3-1-4-17(11-15)27-13-18-5-2-10-26-18)24-9-8-16(12-24)20-22-19(23-28-20)14-6-7-14/h1,3-4,11,14,16,18H,2,5-10,12-13H2/t16-,18+/m1/s1
InChIKeyLNXUUCVLMFQSHL-AEFFLSMTSA-N
MW383.45 g/mol
LogP3.13
Rot. Bonds6

About [(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone

[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone (PubChem CID 124884052) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is [(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
PubChem CID124884052
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
SMILESO=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CC[C@@H](c2nc(C3CC3)no2)C1
InChIInChI=1S/C21H25N3O4/c25-21(15-3-1-4-17(11-15)27-13-18-5-2-10-26-18)24-9-8-16(12-24)20-22-19(23-28-20)14-6-7-14/h1,3-4,11,14,16,18H,2,5-10,12-13H2/t16-,18+/m1/s1
InChIKeyLNXUUCVLMFQSHL-AEFFLSMTSA-N
XLogP3.13
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 110224452
[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 51931513
[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 97245326
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone
CID 119662009
(3-bromophenyl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121092573
1,3-benzodioxol-5-yl-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 71837275
[2-(4-fluorophenyl)morpholin-4-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone
CID 46420143
1,4-diazepan-1-yl-[3-(oxolan-2-ylmethoxy)phenyl]methanone;hydrochloride
CID 119414799
(4-benzhydrylpiperazin-1-yl)-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
CID 33395478
(3-methoxyphenyl)-[4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 72899208
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
(2S)-1-[3-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365942

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The IUPAC name of [(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone (CID 124884052) is [(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone.
What is the SMILES notation for [(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The canonical SMILES for [(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone is O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CC[C@@H](c2nc(C3CC3)no2)C1.
What is the InChIKey of [(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The InChIKey is LNXUUCVLMFQSHL-AEFFLSMTSA-N. The full InChI is InChI=1S/C21H25N3O4/c25-21(15-3-1-4-17(11-15)27-13-18-5-2-10-26-18)24-9-8-16(12-24)20-22-19(23-28-20)14-6-7-14/h1,3-4,11,14,16,18H,2,5-10,12-13H2/t16-,18+/m1/s1.
What are the key properties of [(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone has a molecular weight of 383.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone is sourced from PubChem (CID 124884052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).