3-methoxy-N-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide

C21H20N4O5 — CID 46393235

IUPAC3-methoxy-N-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccc(N2CC(c3nnc(NC(=O)c4cccc(OC)c4)o3)CC2=O)cc1
InChIInChI=1S/C21H20N4O5/c1-28-16-8-6-15(7-9-16)25-12-14(11-18(25)26)20-23-24-21(30-20)22-19(27)13-4-3-5-17(10-13)29-2/h3-10,14H,11-12H2,1-2H3,(H,22,24,27)
InChIKeyMVUYCAVUMVYASH-UHFFFAOYSA-N
MW408.41 g/mol
LogP2.86
Rot. Bonds6

About 3-methoxy-N-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide

3-methoxy-N-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 46393235) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is 3-methoxy-N-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID46393235
Molecular FormulaC21H20N4O5
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name3-methoxy-N-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccc(N2CC(c3nnc(NC(=O)c4cccc(OC)c4)o3)CC2=O)cc1
InChIInChI=1S/C21H20N4O5/c1-28-16-8-6-15(7-9-16)25-12-14(11-18(25)26)20-23-24-21(30-20)22-19(27)13-4-3-5-17(10-13)29-2/h3-10,14H,11-12H2,1-2H3,(H,22,24,27)
InChIKeyMVUYCAVUMVYASH-UHFFFAOYSA-N
XLogP2.86
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 46393260
4-methoxy-N-[5-[(3S)-1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92898317
3-methyl-N-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92893088
2-fluoro-N-[5-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92884558
3,4-dimethoxy-N-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 50744121
3-chloro-N-[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92893085
2-(3-methoxyphenyl)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 50837352
N-[5-[(3S)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92884674
N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 46393291
3,4,5-trimethoxy-N-[5-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92884603
3-chloro-N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 92898154
4-fluoro-N-[5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92884631

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3-methoxy-N-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide (CID 46393235) is 3-methoxy-N-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide is COc1ccc(N2CC(c3nnc(NC(=O)c4cccc(OC)c4)o3)CC2=O)cc1.
What is the InChIKey of 3-methoxy-N-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is MVUYCAVUMVYASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O5/c1-28-16-8-6-15(7-9-16)25-12-14(11-18(25)26)20-23-24-21(30-20)22-19(27)13-4-3-5-17(10-13)29-2/h3-10,14H,11-12H2,1-2H3,(H,22,24,27).
What are the key properties of 3-methoxy-N-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide?
3-methoxy-N-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 408.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 46393235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).