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

C22H24N4O2 — CID 70725512

IUPAC3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C22H24N4O2/c27-20(11-12-21-24-22(25-28-21)18-7-3-1-4-8-18)23-15-17-13-14-26(16-17)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,23,27)
InChIKeyIXOMUQPUAFAFEB-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.31
Rot. Bonds7

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

3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 70725512) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
PubChem CID70725512
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C22H24N4O2/c27-20(11-12-21-24-22(25-28-21)18-7-3-1-4-8-18)23-15-17-13-14-26(16-17)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,23,27)
InChIKeyIXOMUQPUAFAFEB-UHFFFAOYSA-N
XLogP3.31
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55652199
3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 120612518
N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 94024348
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 100762680
3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 46402981
3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]-N-[(2S)-2-phenylpropyl]propanamide
CID 92896631
3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide
CID 49056484
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509
N-[3-oxo-3-[(1-phenylpyrrolidin-3-yl)methylamino]propyl]pyridine-4-carboxamide
CID 47055371
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-3-ylmethyl)propanamide
CID 51079044
N-[(4-benzylmorpholin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55522516
N-[(2-phenylcyclopropyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 71931854

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide (CID 70725512) is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide is O=C(CCc1nc(-c2ccccc2)no1)NCC1CCN(c2ccccc2)C1.
What is the InChIKey of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is IXOMUQPUAFAFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-20(11-12-21-24-22(25-28-21)18-7-3-1-4-8-18)23-15-17-13-14-26(16-17)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,23,27).
What are the key properties of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 376.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 70725512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).