N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

C18H24N4O2 — CID 125137212

IUPACN-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(CC(=O)N[C@H](C)[C@H]2CCN(Cc3ccccc3)C2)o1
InChIInChI=1S/C18H24N4O2/c1-13(19-17(23)10-18-21-20-14(2)24-18)16-8-9-22(12-16)11-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3,(H,19,23)/t13-,16+/m1/s1
InChIKeySDWXXSYLUJMHMX-CJNGLKHVSA-N
MW328.42 g/mol
LogP1.95
Rot. Bonds6

About N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 125137212) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID125137212
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(CC(=O)N[C@H](C)[C@H]2CCN(Cc3ccccc3)C2)o1
InChIInChI=1S/C18H24N4O2/c1-13(19-17(23)10-18-21-20-14(2)24-18)16-8-9-22(12-16)11-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3,(H,19,23)/t13-,16+/m1/s1
InChIKeySDWXXSYLUJMHMX-CJNGLKHVSA-N
XLogP1.95
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1,3-dithiolane-2-carboxamide
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N-[1-(1-benzylpiperidin-3-yl)ethyl]acetamide
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N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
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N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 75448910
1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]ethanol
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N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-ethylpiperidine-2-carboxamide
CID 154801347
N-[[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]sulfamoyl]propan-2-amine
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N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
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(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methylpyrazole-3-sulfonamide
CID 124739764
N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methylpyrazole-3-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (CID 125137212) is N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is Cc1nnc(CC(=O)N[C@H](C)[C@H]2CCN(Cc3ccccc3)C2)o1.
What is the InChIKey of N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is SDWXXSYLUJMHMX-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(19-17(23)10-18-21-20-14(2)24-18)16-8-9-22(12-16)11-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3,(H,19,23)/t13-,16+/m1/s1.
What are the key properties of N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 328.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 125137212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).