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

C18H16Cl2N4O3 — CID 42957909

IUPACN-(2,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CCCN1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C18H16Cl2N4O3/c19-11-5-6-13(12(20)9-11)21-18(25)14-3-1-7-24(14)10-16-22-17(23-27-16)15-4-2-8-26-15/h2,4-6,8-9,14H,1,3,7,10H2,(H,21,25)
InChIKeyQIFIBNONRSXMNW-UHFFFAOYSA-N
MW407.26 g/mol
LogP4.24
Rot. Bonds5

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

N-(2,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 42957909) has the molecular formula C18H16Cl2N4O3 and a molecular weight of 407.26 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID42957909
Molecular FormulaC18H16Cl2N4O3
Molecular Weight407.26 g/mol
Exact Mass406.06
IUPAC NameN-(2,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CCCN1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C18H16Cl2N4O3/c19-11-5-6-13(12(20)9-11)21-18(25)14-3-1-7-24(14)10-16-22-17(23-27-16)15-4-2-8-26-15/h2,4-6,8-9,14H,1,3,7,10H2,(H,21,25)
InChIKeyQIFIBNONRSXMNW-UHFFFAOYSA-N
XLogP4.24
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide
CID 43063792
methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate
CID 37258274
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 86969556
[(2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 62046188
N-(2,4-dichlorophenyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 47027351
N-(2,4-dichlorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38149119
1-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490396
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
CID 120902799
[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119926914
[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea
CID 95382626
N-(2,4-dichlorophenyl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxamide
CID 78864914

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide (CID 42957909) is N-(2,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)C1CCCN1Cc1nc(-c2ccco2)no1.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is QIFIBNONRSXMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O3/c19-11-5-6-13(12(20)9-11)21-18(25)14-3-1-7-24(14)10-16-22-17(23-27-16)15-4-2-8-26-15/h2,4-6,8-9,14H,1,3,7,10H2,(H,21,25).
What are the key properties of N-(2,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
N-(2,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 407.26 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 42957909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).