3-(5-tert-butyl-1,2-oxazol-3-yl)-4-methoxy-1-methylimidazolidin-2-one

C12H19N3O3 — CID 70493740

IUPAC3-(5-tert-butyl-1,2-oxazol-3-yl)-4-methoxy-1-methylimidazolidin-2-one
SMILESCOC1CN(C)C(=O)N1c1cc(C(C)(C)C)on1
InChIInChI=1S/C12H19N3O3/c1-12(2,3)8-6-9(13-18-8)15-10(17-5)7-14(4)11(15)16/h6,10H,7H2,1-5H3
InChIKeyBLKDSQFMVSGHOZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.82
Rot. Bonds2

About 3-(5-tert-butyl-1,2-oxazol-3-yl)-4-methoxy-1-methylimidazolidin-2-one

3-(5-tert-butyl-1,2-oxazol-3-yl)-4-methoxy-1-methylimidazolidin-2-one (PubChem CID 70493740) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,2-oxazol-3-yl)-4-methoxy-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name3-(5-tert-butyl-1,2-oxazol-3-yl)-4-methoxy-1-methylimidazolidin-2-one
PubChem CID70493740
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-(5-tert-butyl-1,2-oxazol-3-yl)-4-methoxy-1-methylimidazolidin-2-one
SMILESCOC1CN(C)C(=O)N1c1cc(C(C)(C)C)on1
InChIInChI=1S/C12H19N3O3/c1-12(2,3)8-6-9(13-18-8)15-10(17-5)7-14(4)11(15)16/h6,10H,7H2,1-5H3
InChIKeyBLKDSQFMVSGHOZ-UHFFFAOYSA-N
XLogP1.82
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,2-oxazol-3-yl)-4-methoxy-1-methylimidazolidin-2-one?
The IUPAC name of 3-(5-tert-butyl-1,2-oxazol-3-yl)-4-methoxy-1-methylimidazolidin-2-one (CID 70493740) is 3-(5-tert-butyl-1,2-oxazol-3-yl)-4-methoxy-1-methylimidazolidin-2-one.
What is the SMILES notation for 3-(5-tert-butyl-1,2-oxazol-3-yl)-4-methoxy-1-methylimidazolidin-2-one?
The canonical SMILES for 3-(5-tert-butyl-1,2-oxazol-3-yl)-4-methoxy-1-methylimidazolidin-2-one is COC1CN(C)C(=O)N1c1cc(C(C)(C)C)on1.
What is the InChIKey of 3-(5-tert-butyl-1,2-oxazol-3-yl)-4-methoxy-1-methylimidazolidin-2-one?
The InChIKey is BLKDSQFMVSGHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(2,3)8-6-9(13-18-8)15-10(17-5)7-14(4)11(15)16/h6,10H,7H2,1-5H3.
What are the key properties of 3-(5-tert-butyl-1,2-oxazol-3-yl)-4-methoxy-1-methylimidazolidin-2-one?
3-(5-tert-butyl-1,2-oxazol-3-yl)-4-methoxy-1-methylimidazolidin-2-one has a molecular weight of 253.30 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,2-oxazol-3-yl)-4-methoxy-1-methylimidazolidin-2-one is sourced from PubChem (CID 70493740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).