N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-4-propoxybenzamide

C24H26N4O5 — CID 92898148

IUPACN-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(OCC)cc4)C3)o2)cc1
InChIInChI=1S/C24H26N4O5/c1-3-13-32-20-9-5-16(6-10-20)22(30)25-24-27-26-23(33-24)17-14-21(29)28(15-17)18-7-11-19(12-8-18)31-4-2/h5-12,17H,3-4,13-15H2,1-2H3,(H,25,27,30)/t17-/m1/s1
InChIKeyIMTXCFDZPYSFPB-QGZVFWFLSA-N
MW450.50 g/mol
LogP4.03
Rot. Bonds9

About N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-4-propoxybenzamide

N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-4-propoxybenzamide (PubChem CID 92898148) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-4-propoxybenzamide
PubChem CID92898148
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC NameN-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(OCC)cc4)C3)o2)cc1
InChIInChI=1S/C24H26N4O5/c1-3-13-32-20-9-5-16(6-10-20)22(30)25-24-27-26-23(33-24)17-14-21(29)28(15-17)18-7-11-19(12-8-18)31-4-2/h5-12,17H,3-4,13-15H2,1-2H3,(H,25,27,30)/t17-/m1/s1
InChIKeyIMTXCFDZPYSFPB-QGZVFWFLSA-N
XLogP4.03
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 92898154
N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]butanamide
CID 92898109
4-methoxy-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 46393260
N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 92898150
4-fluoro-N-[5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92884631
4-fluoro-N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 46393282
N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 92898124
4-methoxy-N-[5-[(3S)-1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92898317
3,4-dimethoxy-N-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 50744121
N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 92898103
3-methoxy-N-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 46393235
4-fluoro-N-[5-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 50836671

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-4-propoxybenzamide?
The IUPAC name of N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-4-propoxybenzamide (CID 92898148) is N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-4-propoxybenzamide.
What is the SMILES notation for N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-4-propoxybenzamide?
The canonical SMILES for N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(OCC)cc4)C3)o2)cc1.
What is the InChIKey of N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-4-propoxybenzamide?
The InChIKey is IMTXCFDZPYSFPB-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-3-13-32-20-9-5-16(6-10-20)22(30)25-24-27-26-23(33-24)17-14-21(29)28(15-17)18-7-11-19(12-8-18)31-4-2/h5-12,17H,3-4,13-15H2,1-2H3,(H,25,27,30)/t17-/m1/s1.
What are the key properties of N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-4-propoxybenzamide?
N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-4-propoxybenzamide has a molecular weight of 450.50 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-4-propoxybenzamide is sourced from PubChem (CID 92898148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).