1-cyclohexyl-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide

C26H28N4O4 — CID 71689820

IUPAC1-cyclohexyl-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-c2noc(-c3cccc(NC(=O)C4CC(=O)N(C5CCCCC5)C4)c3)n2)cc1
InChIInChI=1S/C26H28N4O4/c1-33-22-12-10-17(11-13-22)24-28-26(34-29-24)18-6-5-7-20(14-18)27-25(32)19-15-23(31)30(16-19)21-8-3-2-4-9-21/h5-7,10-14,19,21H,2-4,8-9,15-16H2,1H3,(H,27,32)
InChIKeyYZJMSRYXIQIWBQ-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.53
Rot. Bonds6

About 1-cyclohexyl-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide

1-cyclohexyl-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 71689820) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 1-cyclohexyl-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID71689820
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name1-cyclohexyl-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-c2noc(-c3cccc(NC(=O)C4CC(=O)N(C5CCCCC5)C4)c3)n2)cc1
InChIInChI=1S/C26H28N4O4/c1-33-22-12-10-17(11-13-22)24-28-26(34-29-24)18-6-5-7-20(14-18)27-25(32)19-15-23(31)30(16-19)21-8-3-2-4-9-21/h5-7,10-14,19,21H,2-4,8-9,15-16H2,1H3,(H,27,32)
InChIKeyYZJMSRYXIQIWBQ-UHFFFAOYSA-N
XLogP4.53
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(4-methoxyphenyl)-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92703522
1-cyclohexyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 110610632
(3S)-N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 1116191
1-cyclopentyl-N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46568551
(4R)-1-cyclohexyl-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746311
(3R)-1-cyclohexyl-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 675322
(3R)-1-cyclopentyl-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95089235
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266946
N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 20896103
N-(3-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20904896
(3S)-1-cyclopentyl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364552

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 71689820) is 1-cyclohexyl-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(-c2noc(-c3cccc(NC(=O)C4CC(=O)N(C5CCCCC5)C4)c3)n2)cc1.
What is the InChIKey of 1-cyclohexyl-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YZJMSRYXIQIWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-33-22-12-10-17(11-13-22)24-28-26(34-29-24)18-6-5-7-20(14-18)27-25(32)19-15-23(31)30(16-19)21-8-3-2-4-9-21/h5-7,10-14,19,21H,2-4,8-9,15-16H2,1H3,(H,27,32).
What are the key properties of 1-cyclohexyl-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclohexyl-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71689820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).