4-[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-propylpyrrolidin-2-one

C18H24N4O3 — CID 137345477

IUPAC4-[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-propylpyrrolidin-2-one
SMILESCCCOc1ccccc1-c1nnc(NC2CC(=O)N(CCC)C2)o1
InChIInChI=1S/C18H24N4O3/c1-3-9-22-12-13(11-16(22)23)19-18-21-20-17(25-18)14-7-5-6-8-15(14)24-10-4-2/h5-8,13H,3-4,9-12H2,1-2H3,(H,19,21)
InChIKeyCCCVWRHHZLFOKG-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.95
Rot. Bonds8

About 4-[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-propylpyrrolidin-2-one

4-[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-propylpyrrolidin-2-one (PubChem CID 137345477) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-propylpyrrolidin-2-one
PubChem CID137345477
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-propylpyrrolidin-2-one
SMILESCCCOc1ccccc1-c1nnc(NC2CC(=O)N(CCC)C2)o1
InChIInChI=1S/C18H24N4O3/c1-3-9-22-12-13(11-16(22)23)19-18-21-20-17(25-18)14-7-5-6-8-15(14)24-10-4-2/h5-8,13H,3-4,9-12H2,1-2H3,(H,19,21)
InChIKeyCCCVWRHHZLFOKG-UHFFFAOYSA-N
XLogP2.95
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-propylpyrrolidin-2-one?
The IUPAC name of 4-[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-propylpyrrolidin-2-one (CID 137345477) is 4-[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-propylpyrrolidin-2-one.
What is the SMILES notation for 4-[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-propylpyrrolidin-2-one?
The canonical SMILES for 4-[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-propylpyrrolidin-2-one is CCCOc1ccccc1-c1nnc(NC2CC(=O)N(CCC)C2)o1.
What is the InChIKey of 4-[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-propylpyrrolidin-2-one?
The InChIKey is CCCVWRHHZLFOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-3-9-22-12-13(11-16(22)23)19-18-21-20-17(25-18)14-7-5-6-8-15(14)24-10-4-2/h5-8,13H,3-4,9-12H2,1-2H3,(H,19,21).
What are the key properties of 4-[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-propylpyrrolidin-2-one?
4-[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-propylpyrrolidin-2-one has a molecular weight of 344.42 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-propylpyrrolidin-2-one is sourced from PubChem (CID 137345477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).