N-(2-methoxyphenyl)-3-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

C23H21N5O3 — CID 56675785

IUPACN-(2-methoxyphenyl)-3-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)C1
InChIInChI=1S/C23H21N5O3/c1-30-20-9-5-4-8-18(20)25-23(29)28-13-12-16(14-28)22-26-21(27-31-22)19-11-10-15-6-2-3-7-17(15)24-19/h2-11,16H,12-14H2,1H3,(H,25,29)
InChIKeyKAFHBNVUZMVDIN-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.31
Rot. Bonds4

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

N-(2-methoxyphenyl)-3-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 56675785) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID56675785
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC NameN-(2-methoxyphenyl)-3-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)C1
InChIInChI=1S/C23H21N5O3/c1-30-20-9-5-4-8-18(20)25-23(29)28-13-12-16(14-28)22-26-21(27-31-22)19-11-10-15-6-2-3-7-17(15)24-19/h2-11,16H,12-14H2,1H3,(H,25,29)
InChIKeyKAFHBNVUZMVDIN-UHFFFAOYSA-N
XLogP4.31
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-3-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (CID 56675785) is N-(2-methoxyphenyl)-3-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is COc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)C1.
What is the InChIKey of N-(2-methoxyphenyl)-3-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is KAFHBNVUZMVDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-30-20-9-5-4-8-18(20)25-23(29)28-13-12-16(14-28)22-26-21(27-31-22)19-11-10-15-6-2-3-7-17(15)24-19/h2-11,16H,12-14H2,1H3,(H,25,29).
What are the key properties of N-(2-methoxyphenyl)-3-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
N-(2-methoxyphenyl)-3-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 56675785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).