2-(5-methyl-1,2-oxazole-3-carbonyl)-N-prop-2-enylpyrazolidine-1-carboxamide

C12H16N4O3 — CID 3742644

IUPAC2-(5-methyl-1,2-oxazole-3-carbonyl)-N-prop-2-enylpyrazolidine-1-carboxamide
SMILESC=CCNC(=O)N1CCCN1C(=O)c1cc(C)on1
InChIInChI=1S/C12H16N4O3/c1-3-5-13-12(18)16-7-4-6-15(16)11(17)10-8-9(2)19-14-10/h3,8H,1,4-7H2,2H3,(H,13,18)
InChIKeyUHIIAAQLEJIBBS-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.94
Rot. Bonds3

About 2-(5-methyl-1,2-oxazole-3-carbonyl)-N-prop-2-enylpyrazolidine-1-carboxamide

2-(5-methyl-1,2-oxazole-3-carbonyl)-N-prop-2-enylpyrazolidine-1-carboxamide (PubChem CID 3742644) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(5-methyl-1,2-oxazole-3-carbonyl)-N-prop-2-enylpyrazolidine-1-carboxamide.

Molecular Properties

Compound Name2-(5-methyl-1,2-oxazole-3-carbonyl)-N-prop-2-enylpyrazolidine-1-carboxamide
PubChem CID3742644
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name2-(5-methyl-1,2-oxazole-3-carbonyl)-N-prop-2-enylpyrazolidine-1-carboxamide
SMILESC=CCNC(=O)N1CCCN1C(=O)c1cc(C)on1
InChIInChI=1S/C12H16N4O3/c1-3-5-13-12(18)16-7-4-6-15(16)11(17)10-8-9(2)19-14-10/h3,8H,1,4-7H2,2H3,(H,13,18)
InChIKeyUHIIAAQLEJIBBS-UHFFFAOYSA-N
XLogP0.94
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(5-methyl-1,2-oxazole-3-carbonyl)-N-prop-2-enylpyrazolidine-1-carboxamide?
The IUPAC name of 2-(5-methyl-1,2-oxazole-3-carbonyl)-N-prop-2-enylpyrazolidine-1-carboxamide (CID 3742644) is 2-(5-methyl-1,2-oxazole-3-carbonyl)-N-prop-2-enylpyrazolidine-1-carboxamide.
What is the SMILES notation for 2-(5-methyl-1,2-oxazole-3-carbonyl)-N-prop-2-enylpyrazolidine-1-carboxamide?
The canonical SMILES for 2-(5-methyl-1,2-oxazole-3-carbonyl)-N-prop-2-enylpyrazolidine-1-carboxamide is C=CCNC(=O)N1CCCN1C(=O)c1cc(C)on1.
What is the InChIKey of 2-(5-methyl-1,2-oxazole-3-carbonyl)-N-prop-2-enylpyrazolidine-1-carboxamide?
The InChIKey is UHIIAAQLEJIBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-3-5-13-12(18)16-7-4-6-15(16)11(17)10-8-9(2)19-14-10/h3,8H,1,4-7H2,2H3,(H,13,18).
What are the key properties of 2-(5-methyl-1,2-oxazole-3-carbonyl)-N-prop-2-enylpyrazolidine-1-carboxamide?
2-(5-methyl-1,2-oxazole-3-carbonyl)-N-prop-2-enylpyrazolidine-1-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-oxazole-3-carbonyl)-N-prop-2-enylpyrazolidine-1-carboxamide is sourced from PubChem (CID 3742644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).