(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C20H21N3O3 — CID 18138403

IUPAC(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCCc1nnc(COC(=O)c2c3c(nc4ccc(C)cc24)CCCC3)o1
InChIInChI=1S/C20H21N3O3/c1-3-17-22-23-18(26-17)11-25-20(24)19-13-6-4-5-7-15(13)21-16-9-8-12(2)10-14(16)19/h8-10H,3-7,11H2,1-2H3
InChIKeyVWVNWBQJOROJGY-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.72
Rot. Bonds4

About (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 18138403) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID18138403
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCCc1nnc(COC(=O)c2c3c(nc4ccc(C)cc24)CCCC3)o1
InChIInChI=1S/C20H21N3O3/c1-3-17-22-23-18(26-17)11-25-20(24)19-13-6-4-5-7-15(13)21-16-9-8-12(2)10-14(16)19/h8-10H,3-7,11H2,1-2H3
InChIKeyVWVNWBQJOROJGY-UHFFFAOYSA-N
XLogP3.72
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate with MolForge

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Related Compounds

(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 46528767
oxolan-2-ylmethyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16600369
7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16600366
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 18130518
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16572312
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 24530725
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 30655719
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2483538
(5-methyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 9139057
(5-methyl-1,2-oxazol-3-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 8943905
N-[(4-carbamoyloxan-4-yl)methyl]-7-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 71885337

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 18138403) is (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is CCc1nnc(COC(=O)c2c3c(nc4ccc(C)cc24)CCCC3)o1.
What is the InChIKey of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is VWVNWBQJOROJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-17-22-23-18(26-17)11-25-20(24)19-13-6-4-5-7-15(13)21-16-9-8-12(2)10-14(16)19/h8-10H,3-7,11H2,1-2H3.
What are the key properties of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 351.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 18138403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).