N-ethyl-2-[5-[3-oxo-3-(propan-2-ylamino)propyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide

C15H25N5O3 — CID 91919332

IUPACN-ethyl-2-[5-[3-oxo-3-(propan-2-ylamino)propyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCCC1c1noc(CCC(=O)NC(C)C)n1
InChIInChI=1S/C15H25N5O3/c1-4-16-15(22)20-9-5-6-11(20)14-18-13(23-19-14)8-7-12(21)17-10(2)3/h10-11H,4-9H2,1-3H3,(H,16,22)(H,17,21)
InChIKeyRDFKZEYNRUQAJV-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.39
Rot. Bonds6

About N-ethyl-2-[5-[3-oxo-3-(propan-2-ylamino)propyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide

N-ethyl-2-[5-[3-oxo-3-(propan-2-ylamino)propyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide (PubChem CID 91919332) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-ethyl-2-[5-[3-oxo-3-(propan-2-ylamino)propyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[5-[3-oxo-3-(propan-2-ylamino)propyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide
PubChem CID91919332
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC NameN-ethyl-2-[5-[3-oxo-3-(propan-2-ylamino)propyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCCC1c1noc(CCC(=O)NC(C)C)n1
InChIInChI=1S/C15H25N5O3/c1-4-16-15(22)20-9-5-6-11(20)14-18-13(23-19-14)8-7-12(21)17-10(2)3/h10-11H,4-9H2,1-3H3,(H,16,22)(H,17,21)
InChIKeyRDFKZEYNRUQAJV-UHFFFAOYSA-N
XLogP1.39
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-[3-oxo-3-(propan-2-ylamino)propyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-ethyl-2-[5-[3-oxo-3-(propan-2-ylamino)propyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide (CID 91919332) is N-ethyl-2-[5-[3-oxo-3-(propan-2-ylamino)propyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-2-[5-[3-oxo-3-(propan-2-ylamino)propyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-ethyl-2-[5-[3-oxo-3-(propan-2-ylamino)propyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide is CCNC(=O)N1CCCC1c1noc(CCC(=O)NC(C)C)n1.
What is the InChIKey of N-ethyl-2-[5-[3-oxo-3-(propan-2-ylamino)propyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is RDFKZEYNRUQAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-4-16-15(22)20-9-5-6-11(20)14-18-13(23-19-14)8-7-12(21)17-10(2)3/h10-11H,4-9H2,1-3H3,(H,16,22)(H,17,21).
What are the key properties of N-ethyl-2-[5-[3-oxo-3-(propan-2-ylamino)propyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
N-ethyl-2-[5-[3-oxo-3-(propan-2-ylamino)propyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-[3-oxo-3-(propan-2-ylamino)propyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 91919332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).