N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

C22H24N4O5 — CID 53039444

IUPACN-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(-c2noc(C3CCCN3C(=O)Nc3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C22H24N4O5/c1-28-16-9-6-14(7-10-16)20-24-21(31-25-20)17-5-4-12-26(17)22(27)23-15-8-11-18(29-2)19(13-15)30-3/h6-11,13,17H,4-5,12H2,1-3H3,(H,23,27)
InChIKeyOVYSNRBDDDSNFK-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.13
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 53039444) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
PubChem CID53039444
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(-c2noc(C3CCCN3C(=O)Nc3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C22H24N4O5/c1-28-16-9-6-14(7-10-16)20-24-21(31-25-20)17-5-4-12-26(17)22(27)23-15-8-11-18(29-2)19(13-15)30-3/h6-11,13,17H,4-5,12H2,1-3H3,(H,23,27)
InChIKeyOVYSNRBDDDSNFK-UHFFFAOYSA-N
XLogP4.13
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 7412499
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039452
N-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039437
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)pyrrolidine-1-carboxamide
CID 5043019
(2R)-N-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7415297
N-(4-ethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 4668116
(2S)-N-(4-methoxyphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7493268
N-(3-methoxyphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 4567625
(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 7262323
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 42760910
(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51856174
(2S)-N-(3,4-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7410850

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (CID 53039444) is N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is COc1ccc(-c2noc(C3CCCN3C(=O)Nc3ccc(OC)c(OC)c3)n2)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is OVYSNRBDDDSNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-28-16-9-6-14(7-10-16)20-24-21(31-25-20)17-5-4-12-26(17)22(27)23-15-8-11-18(29-2)19(13-15)30-3/h6-11,13,17H,4-5,12H2,1-3H3,(H,23,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 53039444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).