(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate

C18H19N3O4 — CID 71897715

IUPAC(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1nnc(COC(=O)C2CC(=O)N(c3ccc4c(c3)CCC4)C2)o1
InChIInChI=1S/C18H19N3O4/c1-11-19-20-16(25-11)10-24-18(23)14-8-17(22)21(9-14)15-6-5-12-3-2-4-13(12)7-15/h5-7,14H,2-4,8-10H2,1H3
InChIKeyMZBTVLIUNKLMJI-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.96
Rot. Bonds4

About (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate

(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 71897715) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate
PubChem CID71897715
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1nnc(COC(=O)C2CC(=O)N(c3ccc4c(c3)CCC4)C2)o1
InChIInChI=1S/C18H19N3O4/c1-11-19-20-16(25-11)10-24-18(23)14-8-17(22)21(9-14)15-6-5-12-3-2-4-13(12)7-15/h5-7,14H,2-4,8-10H2,1H3
InChIKeyMZBTVLIUNKLMJI-UHFFFAOYSA-N
XLogP1.96
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxyethyl (3R)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 97185349
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 71897607
(4-methylphenyl) 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 43059386
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 24684772
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838721
(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 51983166
1-(2,3-dihydro-1H-inden-5-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 71935936
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate
CID 55441480
1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 42952813
ethyl (3S)-1-[4-[(4R)-4-ethoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076249
1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 167780443
1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 46581440

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate (CID 71897715) is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate is Cc1nnc(COC(=O)C2CC(=O)N(c3ccc4c(c3)CCC4)C2)o1.
What is the InChIKey of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is MZBTVLIUNKLMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-11-19-20-16(25-11)10-24-18(23)14-8-17(22)21(9-14)15-6-5-12-3-2-4-13(12)7-15/h5-7,14H,2-4,8-10H2,1H3.
What are the key properties of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate?
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 341.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 71897715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).