[(4R)-2,2-dimethyloxan-4-yl]-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

C20H25N3O3 — CID 28634647

IUPAC[(4R)-2,2-dimethyloxan-4-yl]-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCC1(C)C[C@H](C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)CCO1
InChIInChI=1S/C20H25N3O3/c1-20(2)13-15(10-12-25-20)19(24)23-11-6-9-16(23)18-21-17(22-26-18)14-7-4-3-5-8-14/h3-5,7-8,15-16H,6,9-13H2,1-2H3/t15-,16-/m1/s1
InChIKeyKQQBYQBQYIGZLK-HZPDHXFCSA-N
MW355.44 g/mol
LogP3.61
Rot. Bonds3

About [(4R)-2,2-dimethyloxan-4-yl]-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

[(4R)-2,2-dimethyloxan-4-yl]-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 28634647) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [(4R)-2,2-dimethyloxan-4-yl]-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(4R)-2,2-dimethyloxan-4-yl]-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID28634647
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[(4R)-2,2-dimethyloxan-4-yl]-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCC1(C)C[C@H](C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)CCO1
InChIInChI=1S/C20H25N3O3/c1-20(2)13-15(10-12-25-20)19(24)23-11-6-9-16(23)18-21-17(22-26-18)14-7-4-3-5-8-14/h3-5,7-8,15-16H,6,9-13H2,1-2H3/t15-,16-/m1/s1
InChIKeyKQQBYQBQYIGZLK-HZPDHXFCSA-N
XLogP3.61
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

cyclopentyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 42765321
(1-methylindol-3-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 96580779
tert-butyl 2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate
CID 69255350
cyclopropyl-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3364840
(2-methyl-1,3-thiazol-5-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70769319
2-phenyl-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124625631
[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91888691
2-(2-chlorophenyl)-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 98042141
(4-methoxyphenyl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 813074
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pentan-1-one
CID 4992104
(6-methyl-3-pyridinyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95286685
(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride
CID 120992144

Frequently Asked Questions

What is the IUPAC name of [(4R)-2,2-dimethyloxan-4-yl]-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(4R)-2,2-dimethyloxan-4-yl]-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 28634647) is [(4R)-2,2-dimethyloxan-4-yl]-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(4R)-2,2-dimethyloxan-4-yl]-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(4R)-2,2-dimethyloxan-4-yl]-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is CC1(C)C[C@H](C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)CCO1.
What is the InChIKey of [(4R)-2,2-dimethyloxan-4-yl]-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is KQQBYQBQYIGZLK-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-20(2)13-15(10-12-25-20)19(24)23-11-6-9-16(23)18-21-17(22-26-18)14-7-4-3-5-8-14/h3-5,7-8,15-16H,6,9-13H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of [(4R)-2,2-dimethyloxan-4-yl]-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
[(4R)-2,2-dimethyloxan-4-yl]-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2,2-dimethyloxan-4-yl]-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 28634647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).