2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide

C18H22N4O3 — CID 26398459

IUPAC2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
SMILESCc1nonc1CC(=O)N[C@H]1CC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C18H22N4O3/c1-13-16(21-25-20-13)11-17(23)19-15-10-18(24)22(12-15)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyKBCRKDBDSKYFEA-HNNXBMFYSA-N
MW342.40 g/mol
LogP1.27
Rot. Bonds7

About 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide

2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide (PubChem CID 26398459) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
PubChem CID26398459
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
SMILESCc1nonc1CC(=O)N[C@H]1CC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C18H22N4O3/c1-13-16(21-25-20-13)11-17(23)19-15-10-18(24)22(12-15)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyKBCRKDBDSKYFEA-HNNXBMFYSA-N
XLogP1.27
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-fluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 24816744
2-[1-(3,4-difluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 16189060
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-(1-naphthylmethyl)-5-oxo-3-pyrrolidinyl]acetamide
CID 45247800
N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 16671445
N-[(2S)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]-3-methylbutan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 16671456
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 16673635
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-{5-oxo-1-[2-(trifluoromethyl)benzyl]-3-pyrrolidinyl}acetamide
CID 45191343
7-(3,4-Difluorobenzyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-2,7-diazaspiro[4.5]decane
CID 45198042
N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(1-{2-[3-(trifluoromethyl)phenyl]ethyl}-3-piperidinyl)methyl]acetamide
CID 45221658
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 45233671
N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]-3-methylbutan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 46981748
N-[(2S)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 92430787

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide (CID 26398459) is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide is Cc1nonc1CC(=O)N[C@H]1CC(=O)N(CCCc2ccccc2)C1.
What is the InChIKey of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide?
The InChIKey is KBCRKDBDSKYFEA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-16(21-25-20-13)11-17(23)19-15-10-18(24)22(12-15)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3,(H,19,23)/t15-/m0/s1.
What are the key properties of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide?
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 26398459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).