5-[[[3-(1,3-dihydroisoindol-2-yl)benzoyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

C20H19N5O3 — CID 118784855

IUPAC5-[[[3-(1,3-dihydroisoindol-2-yl)benzoyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CNC(=O)c2cccc(N3Cc4ccccc4C3)c2)n1
InChIInChI=1S/C20H19N5O3/c1-21-20(27)18-23-17(28-24-18)10-22-19(26)13-7-4-8-16(9-13)25-11-14-5-2-3-6-15(14)12-25/h2-9H,10-12H2,1H3,(H,21,27)(H,22,26)
InChIKeyFGPAPQQZKFOPKR-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.88
Rot. Bonds5

About 5-[[[3-(1,3-dihydroisoindol-2-yl)benzoyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

5-[[[3-(1,3-dihydroisoindol-2-yl)benzoyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 118784855) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-[[[3-(1,3-dihydroisoindol-2-yl)benzoyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[[3-(1,3-dihydroisoindol-2-yl)benzoyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID118784855
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name5-[[[3-(1,3-dihydroisoindol-2-yl)benzoyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CNC(=O)c2cccc(N3Cc4ccccc4C3)c2)n1
InChIInChI=1S/C20H19N5O3/c1-21-20(27)18-23-17(28-24-18)10-22-19(26)13-7-4-8-16(9-13)25-11-14-5-2-3-6-15(14)12-25/h2-9H,10-12H2,1H3,(H,21,27)(H,22,26)
InChIKeyFGPAPQQZKFOPKR-UHFFFAOYSA-N
XLogP1.88
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[[3-(1,3-dihydroisoindol-2-yl)benzoyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[[3-(1,3-dihydroisoindol-2-yl)benzoyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 118784855) is 5-[[[3-(1,3-dihydroisoindol-2-yl)benzoyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[[3-(1,3-dihydroisoindol-2-yl)benzoyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[[3-(1,3-dihydroisoindol-2-yl)benzoyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(CNC(=O)c2cccc(N3Cc4ccccc4C3)c2)n1.
What is the InChIKey of 5-[[[3-(1,3-dihydroisoindol-2-yl)benzoyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is FGPAPQQZKFOPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-21-20(27)18-23-17(28-24-18)10-22-19(26)13-7-4-8-16(9-13)25-11-14-5-2-3-6-15(14)12-25/h2-9H,10-12H2,1H3,(H,21,27)(H,22,26).
What are the key properties of 5-[[[3-(1,3-dihydroisoindol-2-yl)benzoyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-[[[3-(1,3-dihydroisoindol-2-yl)benzoyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-(1,3-dihydroisoindol-2-yl)benzoyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 118784855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).