[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate

C24H21N3O3 — CID 7603647

IUPAC[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESC[C@H](OC(=O)c1c2c(nc3ccccc13)CCCC2)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H21N3O3/c1-15(22-26-27-23(30-22)16-9-3-2-4-10-16)29-24(28)21-17-11-5-7-13-19(17)25-20-14-8-6-12-18(20)21/h2-5,7,9-11,13,15H,6,8,12,14H2,1H3/t15-/m0/s1
InChIKeyFDSVPTLQNRNOIQ-HNNXBMFYSA-N
MW399.45 g/mol
LogP5.08
Rot. Bonds4

About [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate

[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 7603647) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID7603647
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESC[C@H](OC(=O)c1c2c(nc3ccccc13)CCCC2)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H21N3O3/c1-15(22-26-27-23(30-22)16-9-3-2-4-10-16)29-24(28)21-17-11-5-7-13-19(17)25-20-14-8-6-12-18(20)21/h2-5,7,9-11,13,15H,6,8,12,14H2,1H3/t15-/m0/s1
InChIKeyFDSVPTLQNRNOIQ-HNNXBMFYSA-N
XLogP5.08
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7603649
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 8948935
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825432
[(1R)-1-cyanoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 7440202
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 24530725
[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 40764253
[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 40764255
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7223517
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 5295168
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7298389
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 2622370
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3,5-dimethoxybenzoate
CID 8872478

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate (CID 7603647) is [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate is C[C@H](OC(=O)c1c2c(nc3ccccc13)CCCC2)c1nnc(-c2ccccc2)o1.
What is the InChIKey of [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is FDSVPTLQNRNOIQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-15(22-26-27-23(30-22)16-9-3-2-4-10-16)29-24(28)21-17-11-5-7-13-19(17)25-20-14-8-6-12-18(20)21/h2-5,7,9-11,13,15H,6,8,12,14H2,1H3/t15-/m0/s1.
What are the key properties of [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 399.45 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 7603647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).