2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide

C19H26N4O2 — CID 129448861

IUPAC2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide
SMILESCc1nc([C@@H]2CCCN2CC(=O)N[C@H](C)Cc2ccccc2C)no1
InChIInChI=1S/C19H26N4O2/c1-13-7-4-5-8-16(13)11-14(2)20-18(24)12-23-10-6-9-17(23)19-21-15(3)25-22-19/h4-5,7-8,14,17H,6,9-12H2,1-3H3,(H,20,24)/t14-,17+/m1/s1
InChIKeyQPYMKWWTFWBNQR-PBHICJAKSA-N
MW342.44 g/mol
LogP2.57
Rot. Bonds6

About 2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide

2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide (PubChem CID 129448861) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide
PubChem CID129448861
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide
SMILESCc1nc([C@@H]2CCCN2CC(=O)N[C@H](C)Cc2ccccc2C)no1
InChIInChI=1S/C19H26N4O2/c1-13-7-4-5-8-16(13)11-14(2)20-18(24)12-23-10-6-9-17(23)19-21-15(3)25-22-19/h4-5,7-8,14,17H,6,9-12H2,1-3H3,(H,20,24)/t14-,17+/m1/s1
InChIKeyQPYMKWWTFWBNQR-PBHICJAKSA-N
XLogP2.57
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 75369068
2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 97008727
N-(5-chloro-2-pyridinyl)-2-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 97008716
2-[3-(methylamino)piperidin-1-yl]-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 119920423
2-(4-aminopiperidin-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119908955
2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 97008723
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 95766759
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 95766758
2-(cyclopropylamino)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 54862344
2-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 97008722
6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122053434
(2R)-N-(2,6-dimethylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 97343637

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide?
The IUPAC name of 2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide (CID 129448861) is 2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide is Cc1nc([C@@H]2CCCN2CC(=O)N[C@H](C)Cc2ccccc2C)no1.
What is the InChIKey of 2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide?
The InChIKey is QPYMKWWTFWBNQR-PBHICJAKSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-7-4-5-8-16(13)11-14(2)20-18(24)12-23-10-6-9-17(23)19-21-15(3)25-22-19/h4-5,7-8,14,17H,6,9-12H2,1-3H3,(H,20,24)/t14-,17+/m1/s1.
What are the key properties of 2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide?
2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 129448861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).