5-[(2,4-dichlorophenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide

C17H20Cl2N4O2 — CID 22431593

IUPAC5-[(2,4-dichlorophenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1nnc(Cc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C17H20Cl2N4O2/c1-2-23-7-3-4-13(23)10-20-16(24)17-22-21-15(25-17)8-11-5-6-12(18)9-14(11)19/h5-6,9,13H,2-4,7-8,10H2,1H3,(H,20,24)
InChIKeyQWLOCGKNHDCRRE-UHFFFAOYSA-N
MW383.28 g/mol
LogP3.18
Rot. Bonds6

About 5-[(2,4-dichlorophenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide

5-[(2,4-dichlorophenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22431593) has the molecular formula C17H20Cl2N4O2 and a molecular weight of 383.28 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID22431593
Molecular FormulaC17H20Cl2N4O2
Molecular Weight383.28 g/mol
Exact Mass382.10
IUPAC Name5-[(2,4-dichlorophenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1nnc(Cc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C17H20Cl2N4O2/c1-2-23-7-3-4-13(23)10-20-16(24)17-22-21-15(25-17)8-11-5-6-12(18)9-14(11)19/h5-6,9,13H,2-4,7-8,10H2,1H3,(H,20,24)
InChIKeyQWLOCGKNHDCRRE-UHFFFAOYSA-N
XLogP3.18
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2,4-dichlorophenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 15167696
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625570
3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 43109626
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridazine-3-carboxamide
CID 62165895
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 46092056
4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 60589492
2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 94003929
(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 98790527
3,4-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydroxy-2-methoxybenzamide
CID 142641654
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 94017739
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 141109799

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 22431593) is 5-[(2,4-dichlorophenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(2,4-dichlorophenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide is CCN1CCCC1CNC(=O)c1nnc(Cc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 5-[(2,4-dichlorophenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is QWLOCGKNHDCRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O2/c1-2-23-7-3-4-13(23)10-20-16(24)17-22-21-15(25-17)8-11-5-6-12(18)9-14(11)19/h5-6,9,13H,2-4,7-8,10H2,1H3,(H,20,24).
What are the key properties of 5-[(2,4-dichlorophenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
5-[(2,4-dichlorophenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 383.28 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22431593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).