2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-N,N-dimethylacetamide

C26H29N5O3 — CID 58344662

IUPAC2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-N,N-dimethylacetamide
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N(C)CC(=O)N(C)C)no2)cc1C#N
InChIInChI=1S/C26H29N5O3/c1-16(2)33-23-12-9-17(13-18(23)14-27)26-28-25(29-34-26)21-8-6-7-20-19(21)10-11-22(20)31(5)15-24(32)30(3)4/h6-9,12-13,16,22H,10-11,15H2,1-5H3/t22-/m1/s1
InChIKeyQTANIOBGCFKQTP-JOCHJYFZSA-N
MW459.55 g/mol
LogP4.07
Rot. Bonds7

About 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-N,N-dimethylacetamide

2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-N,N-dimethylacetamide (PubChem CID 58344662) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-N,N-dimethylacetamide
PubChem CID58344662
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC Name2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-N,N-dimethylacetamide
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N(C)CC(=O)N(C)C)no2)cc1C#N
InChIInChI=1S/C26H29N5O3/c1-16(2)33-23-12-9-17(13-18(23)14-27)26-28-25(29-34-26)21-8-6-7-20-19(21)10-11-22(20)31(5)15-24(32)30(3)4/h6-9,12-13,16,22H,10-11,15H2,1-5H3/t22-/m1/s1
InChIKeyQTANIOBGCFKQTP-JOCHJYFZSA-N
XLogP4.07
TPSA95.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-N,N-dimethylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-N,N-dimethylacetamide (CID 58344662) is 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-N,N-dimethylacetamide is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N(C)CC(=O)N(C)C)no2)cc1C#N.
What is the InChIKey of 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-N,N-dimethylacetamide?
The InChIKey is QTANIOBGCFKQTP-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-16(2)33-23-12-9-17(13-18(23)14-27)26-28-25(29-34-26)21-8-6-7-20-19(21)10-11-22(20)31(5)15-24(32)30(3)4/h6-9,12-13,16,22H,10-11,15H2,1-5H3/t22-/m1/s1.
What are the key properties of 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-N,N-dimethylacetamide?
2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-N,N-dimethylacetamide has a molecular weight of 459.55 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 58344662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).