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

C27H31N5O3 — CID 123194258

IUPAC2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]-N,N-dimethylacetamide
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4CN(C)CC(=O)N(C)C)no2)cc1C#N
InChIInChI=1S/C27H31N5O3/c1-17(2)34-24-12-10-18(13-20(24)14-28)27-29-26(30-35-27)23-8-6-7-21-19(9-11-22(21)23)15-32(5)16-25(33)31(3)4/h6-8,10,12-13,17,19H,9,11,15-16H2,1-5H3
InChIKeyNAXUTPRYGUNALK-UHFFFAOYSA-N
MW473.58 g/mol
LogP4.11
Rot. Bonds8

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

2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]-N,N-dimethylacetamide (PubChem CID 123194258) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]-N,N-dimethylacetamide
PubChem CID123194258
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]-N,N-dimethylacetamide
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4CN(C)CC(=O)N(C)C)no2)cc1C#N
InChIInChI=1S/C27H31N5O3/c1-17(2)34-24-12-10-18(13-20(24)14-28)27-29-26(30-35-27)23-8-6-7-21-19(9-11-22(21)23)15-32(5)16-25(33)31(3)4/h6-8,10,12-13,17,19H,9,11,15-16H2,1-5H3
InChIKeyNAXUTPRYGUNALK-UHFFFAOYSA-N
XLogP4.11
TPSA95.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methylamino]propanoic acid
CID 123657072
2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methylideneamino]-N,N-dimethylacetamide
CID 123867211
2-[[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]-N,N-dimethylacetamide
CID 52938048
5-[3-[(1S)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 58344610
2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethylacetamide
CID 76768359
5-[3-(1-methoxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 123835627
CID 88928133
CID 88928133
5-[3-[(1R)-1-[[(2R)-3-oxobutan-2-yl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 58344779
[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl] 2,2-dimethylpropanoate
CID 52938801
5-[3-[(1R)-1-tert-butyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 172770735
5-[3-[(1S)-1-tert-butyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 159699341
N-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 58344783

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]-N,N-dimethylacetamide (CID 123194258) is 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]-N,N-dimethylacetamide is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4CN(C)CC(=O)N(C)C)no2)cc1C#N.
What is the InChIKey of 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is NAXUTPRYGUNALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-17(2)34-24-12-10-18(13-20(24)14-28)27-29-26(30-35-27)23-8-6-7-21-19(9-11-22(21)23)15-32(5)16-25(33)31(3)4/h6-8,10,12-13,17,19H,9,11,15-16H2,1-5H3.
What are the key properties of 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]-N,N-dimethylacetamide?
2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 473.58 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 123194258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).