5-[3-[1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide

C25H29N5O4 — CID 76768306

IUPAC5-[3-[1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCC(=O)N(C)C)no2)cc1C(N)=O
InChIInChI=1S/C25H29N5O4/c1-14(2)33-21-11-8-15(12-19(21)23(26)32)25-28-24(29-34-25)18-7-5-6-17-16(18)9-10-20(17)27-13-22(31)30(3)4/h5-8,11-12,14,20,27H,9-10,13H2,1-4H3,(H2,26,32)
InChIKeySNZPZMRDWSNHMH-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.95
Rot. Bonds8

About 5-[3-[1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide

5-[3-[1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide (PubChem CID 76768306) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is 5-[3-[1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-[3-[1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide
PubChem CID76768306
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Name5-[3-[1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCC(=O)N(C)C)no2)cc1C(N)=O
InChIInChI=1S/C25H29N5O4/c1-14(2)33-21-11-8-15(12-19(21)23(26)32)25-28-24(29-34-25)18-7-5-6-17-16(18)9-10-20(17)27-13-22(31)30(3)4/h5-8,11-12,14,20,27H,9-10,13H2,1-4H3,(H2,26,32)
InChIKeySNZPZMRDWSNHMH-UHFFFAOYSA-N
XLogP2.95
TPSA123.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[3-[1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide?
The IUPAC name of 5-[3-[1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide (CID 76768306) is 5-[3-[1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-[3-[1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-[3-[1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCC(=O)N(C)C)no2)cc1C(N)=O.
What is the InChIKey of 5-[3-[1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide?
The InChIKey is SNZPZMRDWSNHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-14(2)33-21-11-8-15(12-19(21)23(26)32)25-28-24(29-34-25)18-7-5-6-17-16(18)9-10-20(17)27-13-22(31)30(3)4/h5-8,11-12,14,20,27H,9-10,13H2,1-4H3,(H2,26,32).
What are the key properties of 5-[3-[1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide?
5-[3-[1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide has a molecular weight of 463.54 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 76768306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).