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

C27H25N5O3 — CID 165117350

IUPACN-[4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCc1ccc(-c2noc(-c3ccc(NC(=O)C4CC(=O)N(Cc5cccnc5)C4)cc3)n2)cc1
InChIInChI=1S/C27H25N5O3/c1-2-18-5-7-20(8-6-18)25-30-27(35-31-25)21-9-11-23(12-10-21)29-26(34)22-14-24(33)32(17-22)16-19-4-3-13-28-15-19/h3-13,15,22H,2,14,16-17H2,1H3,(H,29,34)
InChIKeyOPPCWEKKHJHSIZ-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.35
Rot. Bonds7

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

N-[4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 165117350) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID165117350
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC NameN-[4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCc1ccc(-c2noc(-c3ccc(NC(=O)C4CC(=O)N(Cc5cccnc5)C4)cc3)n2)cc1
InChIInChI=1S/C27H25N5O3/c1-2-18-5-7-20(8-6-18)25-30-27(35-31-25)21-9-11-23(12-10-21)29-26(34)22-14-24(33)32(17-22)16-19-4-3-13-28-15-19/h3-13,15,22H,2,14,16-17H2,1H3,(H,29,34)
InChIKeyOPPCWEKKHJHSIZ-UHFFFAOYSA-N
XLogP4.35
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 165117350) is N-[4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is CCc1ccc(-c2noc(-c3ccc(NC(=O)C4CC(=O)N(Cc5cccnc5)C4)cc3)n2)cc1.
What is the InChIKey of N-[4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is OPPCWEKKHJHSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-2-18-5-7-20(8-6-18)25-30-27(35-31-25)21-9-11-23(12-10-21)29-26(34)22-14-24(33)32(17-22)16-19-4-3-13-28-15-19/h3-13,15,22H,2,14,16-17H2,1H3,(H,29,34).
What are the key properties of N-[4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
N-[4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 165117350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).