[(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone

C18H21N3O3 — CID 124892655

IUPAC[(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
SMILESCc1noc([C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@H]2c2ccccc2)n1
InChIInChI=1S/C18H21N3O3/c1-12-19-17(24-20-12)16-10-21(18(22)14-7-8-23-11-14)9-15(16)13-5-3-2-4-6-13/h2-6,14-16H,7-11H2,1H3/t14-,15+,16-/m1/s1
InChIKeyUMGCXMCMQQGEFK-OWCLPIDISA-N
MW327.38 g/mol
LogP2.12
Rot. Bonds3

About [(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone

[(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone (PubChem CID 124892655) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone.

Molecular Properties

Compound Name[(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
PubChem CID124892655
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
SMILESCc1noc([C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@H]2c2ccccc2)n1
InChIInChI=1S/C18H21N3O3/c1-12-19-17(24-20-12)16-10-21(18(22)14-7-8-23-11-14)9-15(16)13-5-3-2-4-6-13/h2-6,14-16H,7-11H2,1H3/t14-,15+,16-/m1/s1
InChIKeyUMGCXMCMQQGEFK-OWCLPIDISA-N
XLogP2.12
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The IUPAC name of [(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone (CID 124892655) is [(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone.
What is the SMILES notation for [(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The canonical SMILES for [(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone is Cc1noc([C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@H]2c2ccccc2)n1.
What is the InChIKey of [(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The InChIKey is UMGCXMCMQQGEFK-OWCLPIDISA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-19-17(24-20-12)16-10-21(18(22)14-7-8-23-11-14)9-15(16)13-5-3-2-4-6-13/h2-6,14-16H,7-11H2,1H3/t14-,15+,16-/m1/s1.
What are the key properties of [(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
[(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone has a molecular weight of 327.38 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone is sourced from PubChem (CID 124892655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).