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

C18H22Cl2N4O2 — CID 55628124

IUPACN-(3,5-dichlorophenyl)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C)Cc1noc(CN2CCCC2C(=O)Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C18H22Cl2N4O2/c1-11(2)6-16-22-17(26-23-16)10-24-5-3-4-15(24)18(25)21-14-8-12(19)7-13(20)9-14/h7-9,11,15H,3-6,10H2,1-2H3,(H,21,25)
InChIKeyVVVPUEBBDFBBFE-UHFFFAOYSA-N
MW397.31 g/mol
LogP4.18
Rot. Bonds6

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

N-(3,5-dichlorophenyl)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 55628124) has the molecular formula C18H22Cl2N4O2 and a molecular weight of 397.31 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID55628124
Molecular FormulaC18H22Cl2N4O2
Molecular Weight397.31 g/mol
Exact Mass396.11
IUPAC NameN-(3,5-dichlorophenyl)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C)Cc1noc(CN2CCCC2C(=O)Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C18H22Cl2N4O2/c1-11(2)6-16-22-17(26-23-16)10-24-5-3-4-15(24)18(25)21-14-8-12(19)7-13(20)9-14/h7-9,11,15H,3-6,10H2,1-2H3,(H,21,25)
InChIKeyVVVPUEBBDFBBFE-UHFFFAOYSA-N
XLogP4.18
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 42957925
N-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide
CID 43074702
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55852788
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide
CID 42891680
N-(3,5-dichlorophenyl)-1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]pyrrolidine-2-carboxamide
CID 46406252
5-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 86952046
4-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylic acid
CID 114426404
methyl (2R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-2-carboxylate
CID 79832899
N-(3,5-dichlorophenyl)-1-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxamide
CID 55768615
3-[[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 122028709
N-(3,5-dichlorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 119930519
N-(3,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide
CID 43063792

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide (CID 55628124) is N-(3,5-dichlorophenyl)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide is CC(C)Cc1noc(CN2CCCC2C(=O)Nc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is VVVPUEBBDFBBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O2/c1-11(2)6-16-22-17(26-23-16)10-24-5-3-4-15(24)18(25)21-14-8-12(19)7-13(20)9-14/h7-9,11,15H,3-6,10H2,1-2H3,(H,21,25).
What are the key properties of N-(3,5-dichlorophenyl)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
N-(3,5-dichlorophenyl)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 397.31 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55628124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).