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

C21H23N3O3 — CID 46528767

IUPAC(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCc1ccc2nc3c(c(C(=O)OCc4nc(C(C)C)no4)c2c1)CCCC3
InChIInChI=1S/C21H23N3O3/c1-12(2)20-23-18(27-24-20)11-26-21(25)19-14-6-4-5-7-16(14)22-17-9-8-13(3)10-15(17)19/h8-10,12H,4-7,11H2,1-3H3
InChIKeySOYYKOVDOFBHFP-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.29
Rot. Bonds4

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

(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 46528767) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID46528767
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCc1ccc2nc3c(c(C(=O)OCc4nc(C(C)C)no4)c2c1)CCCC3
InChIInChI=1S/C21H23N3O3/c1-12(2)20-23-18(27-24-20)11-26-21(25)19-14-6-4-5-7-16(14)22-17-9-8-13(3)10-15(17)19/h8-10,12H,4-7,11H2,1-3H3
InChIKeySOYYKOVDOFBHFP-UHFFFAOYSA-N
XLogP4.29
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 18138403
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
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16572312
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-hydroxybenzoate
CID 55539427
(5-methyl-1,2-oxazol-3-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 8943905
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2483538
(4-propan-2-ylphenyl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7889985
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 30655719
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-methylbenzoyl)benzoate
CID 46528753
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 46645110
7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 82450585

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 46528767) is (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is Cc1ccc2nc3c(c(C(=O)OCc4nc(C(C)C)no4)c2c1)CCCC3.
What is the InChIKey of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is SOYYKOVDOFBHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-12(2)20-23-18(27-24-20)11-26-21(25)19-14-6-4-5-7-16(14)22-17-9-8-13(3)10-15(17)19/h8-10,12H,4-7,11H2,1-3H3.
What are the key properties of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 46528767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).