1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxamide

C14H14Cl2N4O2 — CID 47524949

IUPAC1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1
InChIInChI=1S/C14H14Cl2N4O2/c15-9-1-2-10(11(16)5-9)14-19-18-12(22-14)7-20-4-3-8(6-20)13(17)21/h1-2,5,8H,3-4,6-7H2,(H2,17,21)
InChIKeyGRCHIYWLDOSPDH-UHFFFAOYSA-N
MW341.20 g/mol
LogP2.35
Rot. Bonds4

About 1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxamide

1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 47524949) has the molecular formula C14H14Cl2N4O2 and a molecular weight of 341.20 g/mol. Its IUPAC name is 1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID47524949
Molecular FormulaC14H14Cl2N4O2
Molecular Weight341.20 g/mol
Exact Mass340.05
IUPAC Name1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1
InChIInChI=1S/C14H14Cl2N4O2/c15-9-1-2-10(11(16)5-9)14-19-18-12(22-14)7-20-4-3-8(6-20)13(17)21/h1-2,5,8H,3-4,6-7H2,(H2,17,21)
InChIKeyGRCHIYWLDOSPDH-UHFFFAOYSA-N
XLogP2.35
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 111123204
2-[(4-cyclohexyloxypiperidin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 86873821
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 47523586
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38158820
1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542422
(3S)-1-[(4-chloro-2-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 99638888
[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 55409921
(5-chloro-2-fluorophenyl)-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 55739837
2-(2,4-dichlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole
CID 71579662
N'-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]cyclopentanecarboximidamide
CID 95042062
N'-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]cyclopentanecarboximidamide
CID 75405374
1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 68537453

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxamide (CID 47524949) is 1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxamide is NC(=O)C1CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1.
What is the InChIKey of 1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is GRCHIYWLDOSPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2/c15-9-1-2-10(11(16)5-9)14-19-18-12(22-14)7-20-4-3-8(6-20)13(17)21/h1-2,5,8H,3-4,6-7H2,(H2,17,21).
What are the key properties of 1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxamide?
1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 341.20 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 47524949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).