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

C18H16Cl2N4O3 — CID 42957925

IUPACN-(3,5-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C1CCCN1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C18H16Cl2N4O3/c19-11-7-12(20)9-13(8-11)21-18(25)14-3-1-5-24(14)10-16-22-17(23-27-16)15-4-2-6-26-15/h2,4,6-9,14H,1,3,5,10H2,(H,21,25)
InChIKeyDASQMJAYVHXFBS-UHFFFAOYSA-N
MW407.26 g/mol
LogP4.24
Rot. Bonds5

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

N-(3,5-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 42957925) has the molecular formula C18H16Cl2N4O3 and a molecular weight of 407.26 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID42957925
Molecular FormulaC18H16Cl2N4O3
Molecular Weight407.26 g/mol
Exact Mass406.06
IUPAC NameN-(3,5-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C1CCCN1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C18H16Cl2N4O3/c19-11-7-12(20)9-13(8-11)21-18(25)14-3-1-5-24(14)10-16-22-17(23-27-16)15-4-2-6-26-15/h2,4,6-9,14H,1,3,5,10H2,(H,21,25)
InChIKeyDASQMJAYVHXFBS-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide
CID 43063792
N-(2,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 42957909
N-(3,5-dichlorophenyl)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 55628124
methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate
CID 37258274
[(2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 62046188
3-[[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 122028709
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide
CID 42891680
1-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490396
[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119926914
N-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide
CID 43074702
[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea
CID 95382626
[(2R)-1-[[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 95972817

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide (CID 42957925) is N-(3,5-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)C1CCCN1Cc1nc(-c2ccco2)no1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is DASQMJAYVHXFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O3/c19-11-7-12(20)9-13(8-11)21-18(25)14-3-1-5-24(14)10-16-22-17(23-27-16)15-4-2-6-26-15/h2,4,6-9,14H,1,3,5,10H2,(H,21,25).
What are the key properties of N-(3,5-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
N-(3,5-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-(3,5-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 42957925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).