N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C19H24N4O3 — CID 110311084

IUPACN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(C)(C)c1nc(CCNC(=O)c2ccc(N3CCCC3=O)cc2)no1
InChIInChI=1S/C19H24N4O3/c1-19(2,3)18-21-15(22-26-18)10-11-20-17(25)13-6-8-14(9-7-13)23-12-4-5-16(23)24/h6-9H,4-5,10-12H2,1-3H3,(H,20,25)
InChIKeyGIRDLTPJNVNRBE-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.47
Rot. Bonds5

About N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 110311084) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID110311084
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(C)(C)c1nc(CCNC(=O)c2ccc(N3CCCC3=O)cc2)no1
InChIInChI=1S/C19H24N4O3/c1-19(2,3)18-21-15(22-26-18)10-11-20-17(25)13-6-8-14(9-7-13)23-12-4-5-16(23)24/h6-9H,4-5,10-12H2,1-3H3,(H,20,25)
InChIKeyGIRDLTPJNVNRBE-UHFFFAOYSA-N
XLogP2.47
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methoxybenzamide
CID 110294299
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide
CID 110416590
N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110619378
4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 51081174
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111621119
4-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide
CID 3571977
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbenzamide
CID 110294289
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 9490586
N-(2-hydroxy-2-phenylpropyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 111334828
N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9163432

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 110311084) is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is CC(C)(C)c1nc(CCNC(=O)c2ccc(N3CCCC3=O)cc2)no1.
What is the InChIKey of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is GIRDLTPJNVNRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-19(2,3)18-21-15(22-26-18)10-11-20-17(25)13-6-8-14(9-7-13)23-12-4-5-16(23)24/h6-9H,4-5,10-12H2,1-3H3,(H,20,25).
What are the key properties of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 356.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 110311084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).