2-[[4-[5-(3-cyano-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethylacetamide

C24H25N5O3 — CID 137119395

IUPAC2-[[4-[5-(3-cyano-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNC1CCc2c(-c3noc(-c4ccc(O)c(C#N)c4)n3)cccc21
InChIInChI=1S/C24H25N5O3/c1-3-29(4-2)22(31)14-26-20-10-9-17-18(20)6-5-7-19(17)23-27-24(32-28-23)15-8-11-21(30)16(12-15)13-25/h5-8,11-12,20,26,30H,3-4,9-10,14H2,1-2H3
InChIKeyRJACQRNDMFUKKR-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.43
Rot. Bonds7

About 2-[[4-[5-(3-cyano-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethylacetamide

2-[[4-[5-(3-cyano-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethylacetamide (PubChem CID 137119395) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-[[4-[5-(3-cyano-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[4-[5-(3-cyano-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethylacetamide
PubChem CID137119395
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name2-[[4-[5-(3-cyano-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNC1CCc2c(-c3noc(-c4ccc(O)c(C#N)c4)n3)cccc21
InChIInChI=1S/C24H25N5O3/c1-3-29(4-2)22(31)14-26-20-10-9-17-18(20)6-5-7-19(17)23-27-24(32-28-23)15-8-11-21(30)16(12-15)13-25/h5-8,11-12,20,26,30H,3-4,9-10,14H2,1-2H3
InChIKeyRJACQRNDMFUKKR-UHFFFAOYSA-N
XLogP3.43
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-(3-cyano-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethylacetamide?
The IUPAC name of 2-[[4-[5-(3-cyano-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethylacetamide (CID 137119395) is 2-[[4-[5-(3-cyano-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[4-[5-(3-cyano-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[[4-[5-(3-cyano-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethylacetamide is CCN(CC)C(=O)CNC1CCc2c(-c3noc(-c4ccc(O)c(C#N)c4)n3)cccc21.
What is the InChIKey of 2-[[4-[5-(3-cyano-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethylacetamide?
The InChIKey is RJACQRNDMFUKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-3-29(4-2)22(31)14-26-20-10-9-17-18(20)6-5-7-19(17)23-27-24(32-28-23)15-8-11-21(30)16(12-15)13-25/h5-8,11-12,20,26,30H,3-4,9-10,14H2,1-2H3.
What are the key properties of 2-[[4-[5-(3-cyano-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethylacetamide?
2-[[4-[5-(3-cyano-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethylacetamide has a molecular weight of 431.50 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-(3-cyano-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethylacetamide is sourced from PubChem (CID 137119395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).