2-(3-imidazol-1-ylpropyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxo-3H-isoindole-5-carboxamide

C19H20N6O3 — CID 70726323

IUPAC2-(3-imidazol-1-ylpropyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxo-3H-isoindole-5-carboxamide
SMILESCc1nc(CNC(=O)c2ccc3c(c2)CN(CCCn2ccnc2)C3=O)no1
InChIInChI=1S/C19H20N6O3/c1-13-22-17(23-28-13)10-21-18(26)14-3-4-16-15(9-14)11-25(19(16)27)7-2-6-24-8-5-20-12-24/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,21,26)
InChIKeyWNONLMLCOBIMNA-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.55
Rot. Bonds7

About 2-(3-imidazol-1-ylpropyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxo-3H-isoindole-5-carboxamide

2-(3-imidazol-1-ylpropyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxo-3H-isoindole-5-carboxamide (PubChem CID 70726323) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-(3-imidazol-1-ylpropyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxo-3H-isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(3-imidazol-1-ylpropyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxo-3H-isoindole-5-carboxamide
PubChem CID70726323
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name2-(3-imidazol-1-ylpropyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxo-3H-isoindole-5-carboxamide
SMILESCc1nc(CNC(=O)c2ccc3c(c2)CN(CCCn2ccnc2)C3=O)no1
InChIInChI=1S/C19H20N6O3/c1-13-22-17(23-28-13)10-21-18(26)14-3-4-16-15(9-14)11-25(19(16)27)7-2-6-24-8-5-20-12-24/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,21,26)
InChIKeyWNONLMLCOBIMNA-UHFFFAOYSA-N
XLogP1.55
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazol-1-ylpropyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxo-3H-isoindole-5-carboxamide?
The IUPAC name of 2-(3-imidazol-1-ylpropyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxo-3H-isoindole-5-carboxamide (CID 70726323) is 2-(3-imidazol-1-ylpropyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxo-3H-isoindole-5-carboxamide.
What is the SMILES notation for 2-(3-imidazol-1-ylpropyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxo-3H-isoindole-5-carboxamide?
The canonical SMILES for 2-(3-imidazol-1-ylpropyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxo-3H-isoindole-5-carboxamide is Cc1nc(CNC(=O)c2ccc3c(c2)CN(CCCn2ccnc2)C3=O)no1.
What is the InChIKey of 2-(3-imidazol-1-ylpropyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxo-3H-isoindole-5-carboxamide?
The InChIKey is WNONLMLCOBIMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-13-22-17(23-28-13)10-21-18(26)14-3-4-16-15(9-14)11-25(19(16)27)7-2-6-24-8-5-20-12-24/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,21,26).
What are the key properties of 2-(3-imidazol-1-ylpropyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxo-3H-isoindole-5-carboxamide?
2-(3-imidazol-1-ylpropyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxo-3H-isoindole-5-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazol-1-ylpropyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxo-3H-isoindole-5-carboxamide is sourced from PubChem (CID 70726323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).