3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1-methylpyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C26H29N5O4 — CID 123598029

IUPAC3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1-methylpyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1noc(-c2ccc(Oc3cc(C(=O)NC4CCN(C)C4)ccc3CN3CCCC3=O)cc2)n1
InChIInChI=1S/C26H29N5O4/c1-17-27-26(35-29-17)18-7-9-22(10-8-18)34-23-14-19(25(33)28-21-11-13-30(2)16-21)5-6-20(23)15-31-12-3-4-24(31)32/h5-10,14,21H,3-4,11-13,15-16H2,1-2H3,(H,28,33)
InChIKeyJLTVHWVXBHDOHI-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.39
Rot. Bonds7

About 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1-methylpyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1-methylpyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 123598029) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1-methylpyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1-methylpyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID123598029
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC Name3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1-methylpyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1noc(-c2ccc(Oc3cc(C(=O)NC4CCN(C)C4)ccc3CN3CCCC3=O)cc2)n1
InChIInChI=1S/C26H29N5O4/c1-17-27-26(35-29-17)18-7-9-22(10-8-18)34-23-14-19(25(33)28-21-11-13-30(2)16-21)5-6-20(23)15-31-12-3-4-24(31)32/h5-10,14,21H,3-4,11-13,15-16H2,1-2H3,(H,28,33)
InChIKeyJLTVHWVXBHDOHI-UHFFFAOYSA-N
XLogP3.39
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-cyclopentylpiperidin-4-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]benzamide
CID 118465433
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[4-(6-methoxypyridazin-3-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 118465430
3-[4-[cyclopropyl(methyl)carbamoyl]phenoxy]-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 123212836
N-(4-methoxycyclohexyl)-4-[(2-oxopyrrolidin-1-yl)methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]benzamide
CID 118465401
4-[5-[5-[1-(cyanomethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]-N-cyclopropylbenzamide
CID 118454291
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 134046699
(4R)-1-cyclopropyl-4-[5-[3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 118465690
2-methylpropanimidoyl 4-[5-[(1-cyclobutylpiperidin-4-yl)carbamoyl]-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]benzenecarboximidothioate
CID 144948027
N-(3-amino-4,4-difluorobutyl)-3-(4-cyanophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 144948054
3-[4-(5-methylpyrazin-2-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 144948040
1-[[4-[3-(1-cyclopropylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]methyl]pyrrolidin-2-one
CID 118454295
N-cyclohexyl-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-3-[4-(6-methylpyridazin-3-yl)phenoxy]benzamide
CID 118465336

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1-methylpyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1-methylpyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 123598029) is 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1-methylpyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1-methylpyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1-methylpyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is Cc1noc(-c2ccc(Oc3cc(C(=O)NC4CCN(C)C4)ccc3CN3CCCC3=O)cc2)n1.
What is the InChIKey of 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1-methylpyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is JLTVHWVXBHDOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-17-27-26(35-29-17)18-7-9-22(10-8-18)34-23-14-19(25(33)28-21-11-13-30(2)16-21)5-6-20(23)15-31-12-3-4-24(31)32/h5-10,14,21H,3-4,11-13,15-16H2,1-2H3,(H,28,33).
What are the key properties of 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1-methylpyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1-methylpyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 475.55 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1-methylpyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 123598029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).