1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one

C13H19N3O2 — CID 139341919

IUPAC1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one
SMILESCC(C)c1noc(C2CC2)c1N1CCN(C)C1=O
InChIInChI=1S/C13H19N3O2/c1-8(2)10-11(12(18-14-10)9-4-5-9)16-7-6-15(3)13(16)17/h8-9H,4-7H2,1-3H3
InChIKeyNEMSSUTWFJXWLK-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.55
Rot. Bonds3

About 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one

1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one (PubChem CID 139341919) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one
PubChem CID139341919
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one
SMILESCC(C)c1noc(C2CC2)c1N1CCN(C)C1=O
InChIInChI=1S/C13H19N3O2/c1-8(2)10-11(12(18-14-10)9-4-5-9)16-7-6-15(3)13(16)17/h8-9H,4-7H2,1-3H3
InChIKeyNEMSSUTWFJXWLK-UHFFFAOYSA-N
XLogP2.55
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one (CID 139341919) is 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one is CC(C)c1noc(C2CC2)c1N1CCN(C)C1=O.
What is the InChIKey of 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one?
The InChIKey is NEMSSUTWFJXWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8(2)10-11(12(18-14-10)9-4-5-9)16-7-6-15(3)13(16)17/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one?
1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 139341919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).