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

C25H21N3O2 — CID 24609298

IUPACN-(2,3-dihydro-1H-inden-1-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)NC3CCc4ccccc43)cc2)o1
InChIInChI=1S/C25H21N3O2/c1-16-6-2-4-8-20(16)25-28-27-24(30-25)19-12-10-18(11-13-19)23(29)26-22-15-14-17-7-3-5-9-21(17)22/h2-13,22H,14-15H2,1H3,(H,26,29)
InChIKeyFUXLULHQTYAWSA-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.13
Rot. Bonds4

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

N-(2,3-dihydro-1H-inden-1-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 24609298) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID24609298
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)NC3CCc4ccccc43)cc2)o1
InChIInChI=1S/C25H21N3O2/c1-16-6-2-4-8-20(16)25-28-27-24(30-25)19-12-10-18(11-13-19)23(29)26-22-15-14-17-7-3-5-9-21(17)22/h2-13,22H,14-15H2,1H3,(H,26,29)
InChIKeyFUXLULHQTYAWSA-UHFFFAOYSA-N
XLogP5.13
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 24609298) is N-(2,3-dihydro-1H-inden-1-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1ccccc1-c1nnc(-c2ccc(C(=O)NC3CCc4ccccc43)cc2)o1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is FUXLULHQTYAWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-16-6-2-4-8-20(16)25-28-27-24(30-25)19-12-10-18(11-13-19)23(29)26-22-15-14-17-7-3-5-9-21(17)22/h2-13,22H,14-15H2,1H3,(H,26,29).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-(2,3-dihydro-1H-inden-1-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 395.46 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 24609298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).