ethyl N-[4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]carbamate

C25H20F3N3O3S — CID 140613015

IUPACethyl N-[4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCCOC(=O)NC1CCc2c(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cccc21
InChIInChI=1S/C25H20F3N3O3S/c1-2-33-24(32)29-19-12-11-15-16(19)9-6-10-17(15)22-30-23(34-31-22)20-13-18(14-7-4-3-5-8-14)21(35-20)25(26,27)28/h3-10,13,19H,2,11-12H2,1H3,(H,29,32)
InChIKeyGRWGMLWCKQDIQZ-UHFFFAOYSA-N
MW499.51 g/mol
LogP6.88
Rot. Bonds5

About ethyl N-[4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]carbamate

ethyl N-[4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 140613015) has the molecular formula C25H20F3N3O3S and a molecular weight of 499.51 g/mol. Its IUPAC name is ethyl N-[4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID140613015
Molecular FormulaC25H20F3N3O3S
Molecular Weight499.51 g/mol
Exact Mass499.12
IUPAC Nameethyl N-[4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCCOC(=O)NC1CCc2c(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cccc21
InChIInChI=1S/C25H20F3N3O3S/c1-2-33-24(32)29-19-12-11-15-16(19)9-6-10-17(15)22-30-23(34-31-22)20-13-18(14-7-4-3-5-8-14)21(35-20)25(26,27)28/h3-10,13,19H,2,11-12H2,1H3,(H,29,32)
InChIKeyGRWGMLWCKQDIQZ-UHFFFAOYSA-N
XLogP6.88
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.51
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl N-[4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-1-[[5-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]azetidine-3-carboxylic acid
CID 69228223
5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 4077460
ethyl 4-[5-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]butanoate
CID 59316771
butanoic acid;4-[4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]butanoic acid
CID 159069145
2-[[(1R)-4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2,3,7,7a-tetrahydro-1H-inden-1-yl]amino]ethanol
CID 149393221
3-(1H-indazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
CID 141217820
2-[[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol
CID 25110513
2-[5-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoic acid
CID 157349337
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
N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylazetidine-1-carboxamide;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylazetidine-1-carboxamide;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide;ethyl N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;methyl N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 160878304
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
sodium 3-[5-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoate
CID 59318357

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of ethyl N-[4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]carbamate (CID 140613015) is ethyl N-[4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for ethyl N-[4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for ethyl N-[4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]carbamate is CCOC(=O)NC1CCc2c(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cccc21.
What is the InChIKey of ethyl N-[4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is GRWGMLWCKQDIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O3S/c1-2-33-24(32)29-19-12-11-15-16(19)9-6-10-17(15)22-30-23(34-31-22)20-13-18(14-7-4-3-5-8-14)21(35-20)25(26,27)28/h3-10,13,19H,2,11-12H2,1H3,(H,29,32).
What are the key properties of ethyl N-[4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]carbamate?
ethyl N-[4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 499.51 g/mol, XLogP of 6.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 140613015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).