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

C12H17N3O2 — CID 139341943

IUPAC1-(5-cyclopropyl-3-ethyl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one
SMILESCCc1noc(C2CC2)c1N1CCN(C)C1=O
InChIInChI=1S/C12H17N3O2/c1-3-9-10(11(17-13-9)8-4-5-8)15-7-6-14(2)12(15)16/h8H,3-7H2,1-2H3
InChIKeyJWHCTCFEQUUPPU-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.99
Rot. Bonds3

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

1-(5-cyclopropyl-3-ethyl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one (PubChem CID 139341943) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(5-cyclopropyl-3-ethyl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(5-cyclopropyl-3-ethyl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one
PubChem CID139341943
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-(5-cyclopropyl-3-ethyl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one
SMILESCCc1noc(C2CC2)c1N1CCN(C)C1=O
InChIInChI=1S/C12H17N3O2/c1-3-9-10(11(17-13-9)8-4-5-8)15-7-6-14(2)12(15)16/h8H,3-7H2,1-2H3
InChIKeyJWHCTCFEQUUPPU-UHFFFAOYSA-N
XLogP1.99
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.99
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-ethyl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(5-cyclopropyl-3-ethyl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one (CID 139341943) is 1-(5-cyclopropyl-3-ethyl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(5-cyclopropyl-3-ethyl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(5-cyclopropyl-3-ethyl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one is CCc1noc(C2CC2)c1N1CCN(C)C1=O.
What is the InChIKey of 1-(5-cyclopropyl-3-ethyl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one?
The InChIKey is JWHCTCFEQUUPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-9-10(11(17-13-9)8-4-5-8)15-7-6-14(2)12(15)16/h8H,3-7H2,1-2H3.
What are the key properties of 1-(5-cyclopropyl-3-ethyl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one?
1-(5-cyclopropyl-3-ethyl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one has a molecular weight of 235.29 g/mol, XLogP of 1.99, 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-ethyl-1,2-oxazol-4-yl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 139341943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).