[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate

C19H20ClN3O4 — CID 8640863

IUPAC[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C19H20ClN3O4/c20-14-5-3-4-12(8-14)18-21-16(27-22-18)11-26-19(25)13-9-17(24)23(10-13)15-6-1-2-7-15/h3-5,8,13,15H,1-2,6-7,9-11H2/t13-/m1/s1
InChIKeyLOZJJABWHHDAJE-CYBMUJFWSA-N
MW389.84 g/mol
LogP3.22
Rot. Bonds5

About [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate

[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 8640863) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
PubChem CID8640863
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC Name[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C19H20ClN3O4/c20-14-5-3-4-12(8-14)18-21-16(27-22-18)11-26-19(25)13-9-17(24)23(10-13)15-6-1-2-7-15/h3-5,8,13,15H,1-2,6-7,9-11H2/t13-/m1/s1
InChIKeyLOZJJABWHHDAJE-CYBMUJFWSA-N
XLogP3.22
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 8577038
[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 8577036
[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-hydroxybenzoate
CID 9412685
[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylsulfanylbenzoate
CID 8913504
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl cyclohex-3-ene-1-carboxylate
CID 46608364
[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-chloro-2-fluorobenzoate
CID 8664385
[3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 100768913
1-cyclohexyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 110610632
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide
CID 38155425
1-O-tert-butyl 3-O-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl] piperidine-1,3-dicarboxylate
CID 55444505
[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 8602883
[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 8602882

Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate (CID 8640863) is [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate is O=C(OCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is LOZJJABWHHDAJE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c20-14-5-3-4-12(8-14)18-21-16(27-22-18)11-26-19(25)13-9-17(24)23(10-13)15-6-1-2-7-15/h3-5,8,13,15H,1-2,6-7,9-11H2/t13-/m1/s1.
What are the key properties of [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 389.84 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 8640863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).