N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C26H23N5O3 — CID 165117376

IUPACN-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(-c2noc(-c3ccc(NC(=O)C4CC(=O)N(Cc5ccccn5)C4)cc3)n2)cc1
InChIInChI=1S/C26H23N5O3/c1-17-5-7-18(8-6-17)24-29-26(34-30-24)19-9-11-21(12-10-19)28-25(33)20-14-23(32)31(15-20)16-22-4-2-3-13-27-22/h2-13,20H,14-16H2,1H3,(H,28,33)
InChIKeyGLPMCKQSUGUBQB-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.09
Rot. Bonds6

About N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 165117376) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID165117376
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC NameN-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(-c2noc(-c3ccc(NC(=O)C4CC(=O)N(Cc5ccccn5)C4)cc3)n2)cc1
InChIInChI=1S/C26H23N5O3/c1-17-5-7-18(8-6-17)24-29-26(34-30-24)19-9-11-21(12-10-19)28-25(33)20-14-23(32)31(15-20)16-22-4-2-3-13-27-22/h2-13,20H,14-16H2,1H3,(H,28,33)
InChIKeyGLPMCKQSUGUBQB-UHFFFAOYSA-N
XLogP4.09
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 165117376) is N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is Cc1ccc(-c2noc(-c3ccc(NC(=O)C4CC(=O)N(Cc5ccccn5)C4)cc3)n2)cc1.
What is the InChIKey of N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is GLPMCKQSUGUBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c1-17-5-7-18(8-6-17)24-29-26(34-30-24)19-9-11-21(12-10-19)28-25(33)20-14-23(32)31(15-20)16-22-4-2-3-13-27-22/h2-13,20H,14-16H2,1H3,(H,28,33).
What are the key properties of N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 165117376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).