N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]benzamide

C19H17N3O2 — CID 139413289

IUPACN-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCc1nc(-c2ccc3c(c2)CCC3NC(=O)c2ccccc2)no1
InChIInChI=1S/C19H17N3O2/c1-12-20-18(22-24-12)15-7-9-16-14(11-15)8-10-17(16)21-19(23)13-5-3-2-4-6-13/h2-7,9,11,17H,8,10H2,1H3,(H,21,23)
InChIKeyOJJJVBSVKNQCJP-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.46
Rot. Bonds3

About N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]benzamide

N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 139413289) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound NameN-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID139413289
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCc1nc(-c2ccc3c(c2)CCC3NC(=O)c2ccccc2)no1
InChIInChI=1S/C19H17N3O2/c1-12-20-18(22-24-12)15-7-9-16-14(11-15)8-10-17(16)21-19(23)13-5-3-2-4-6-13/h2-7,9,11,17H,8,10H2,1H3,(H,21,23)
InChIKeyOJJJVBSVKNQCJP-UHFFFAOYSA-N
XLogP3.46
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]benzamide (CID 139413289) is N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]benzamide is Cc1nc(-c2ccc3c(c2)CCC3NC(=O)c2ccccc2)no1.
What is the InChIKey of N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is OJJJVBSVKNQCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-20-18(22-24-12)15-7-9-16-14(11-15)8-10-17(16)21-19(23)13-5-3-2-4-6-13/h2-7,9,11,17H,8,10H2,1H3,(H,21,23).
What are the key properties of N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]benzamide?
N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 319.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 139413289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).