N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C21H23N5O2 — CID 70756620

IUPACN-methyl-2-(3-phenylpyrrolidin-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCN(Cc1nc(-c2ccccn2)no1)C(=O)CN1CCC(c2ccccc2)C1
InChIInChI=1S/C21H23N5O2/c1-25(14-19-23-21(24-28-19)18-9-5-6-11-22-18)20(27)15-26-12-10-17(13-26)16-7-3-2-4-8-16/h2-9,11,17H,10,12-15H2,1H3
InChIKeyDNBKSAYWSVCSNW-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.58
Rot. Bonds6

About N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 70756620) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-phenylpyrrolidin-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID70756620
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-methyl-2-(3-phenylpyrrolidin-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCN(Cc1nc(-c2ccccn2)no1)C(=O)CN1CCC(c2ccccc2)C1
InChIInChI=1S/C21H23N5O2/c1-25(14-19-23-21(24-28-19)18-9-5-6-11-22-18)20(27)15-26-12-10-17(13-26)16-7-3-2-4-8-16/h2-9,11,17H,10,12-15H2,1H3
InChIKeyDNBKSAYWSVCSNW-UHFFFAOYSA-N
XLogP2.58
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3R)-3-phenylpiperidin-1-yl]acetamide
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(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 70756620) is N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is CN(Cc1nc(-c2ccccn2)no1)C(=O)CN1CCC(c2ccccc2)C1.
What is the InChIKey of N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is DNBKSAYWSVCSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-25(14-19-23-21(24-28-19)18-9-5-6-11-22-18)20(27)15-26-12-10-17(13-26)16-7-3-2-4-8-16/h2-9,11,17H,10,12-15H2,1H3.
What are the key properties of N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 70756620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).