3-[1-[(2R,3R)-2-prop-1-en-2-yloxane-3-carbonyl]pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one

C15H21N3O4 — CID 166315606

IUPAC3-[1-[(2R,3R)-2-prop-1-en-2-yloxane-3-carbonyl]pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one
SMILESC=C(C)[C@@H]1OCCC[C@H]1C(=O)N1CCC(c2noc(=O)[nH]2)C1
InChIInChI=1S/C15H21N3O4/c1-9(2)12-11(4-3-7-21-12)14(19)18-6-5-10(8-18)13-16-15(20)22-17-13/h10-12H,1,3-8H2,2H3,(H,16,17,20)/t10?,11-,12+/m1/s1
InChIKeyLYLIFHCOHCRJOX-SAIIYOCFSA-N
MW307.35 g/mol
LogP1.05
Rot. Bonds3

About 3-[1-[(2R,3R)-2-prop-1-en-2-yloxane-3-carbonyl]pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one

3-[1-[(2R,3R)-2-prop-1-en-2-yloxane-3-carbonyl]pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 166315606) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[1-[(2R,3R)-2-prop-1-en-2-yloxane-3-carbonyl]pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[1-[(2R,3R)-2-prop-1-en-2-yloxane-3-carbonyl]pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one
PubChem CID166315606
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name3-[1-[(2R,3R)-2-prop-1-en-2-yloxane-3-carbonyl]pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one
SMILESC=C(C)[C@@H]1OCCC[C@H]1C(=O)N1CCC(c2noc(=O)[nH]2)C1
InChIInChI=1S/C15H21N3O4/c1-9(2)12-11(4-3-7-21-12)14(19)18-6-5-10(8-18)13-16-15(20)22-17-13/h10-12H,1,3-8H2,2H3,(H,16,17,20)/t10?,11-,12+/m1/s1
InChIKeyLYLIFHCOHCRJOX-SAIIYOCFSA-N
XLogP1.05
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2R,3R)-2-prop-1-en-2-yloxane-3-carbonyl]pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[1-[(2R,3R)-2-prop-1-en-2-yloxane-3-carbonyl]pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one (CID 166315606) is 3-[1-[(2R,3R)-2-prop-1-en-2-yloxane-3-carbonyl]pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[1-[(2R,3R)-2-prop-1-en-2-yloxane-3-carbonyl]pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[1-[(2R,3R)-2-prop-1-en-2-yloxane-3-carbonyl]pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one is C=C(C)[C@@H]1OCCC[C@H]1C(=O)N1CCC(c2noc(=O)[nH]2)C1.
What is the InChIKey of 3-[1-[(2R,3R)-2-prop-1-en-2-yloxane-3-carbonyl]pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is LYLIFHCOHCRJOX-SAIIYOCFSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-9(2)12-11(4-3-7-21-12)14(19)18-6-5-10(8-18)13-16-15(20)22-17-13/h10-12H,1,3-8H2,2H3,(H,16,17,20)/t10?,11-,12+/m1/s1.
What are the key properties of 3-[1-[(2R,3R)-2-prop-1-en-2-yloxane-3-carbonyl]pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one?
3-[1-[(2R,3R)-2-prop-1-en-2-yloxane-3-carbonyl]pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 307.35 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2R,3R)-2-prop-1-en-2-yloxane-3-carbonyl]pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 166315606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).