1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-bis(hydroxymethyl)imidazolidin-2-one

C12H19N3O4 — CID 70566857

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-bis(hydroxymethyl)imidazolidin-2-one
SMILESCC(C)(C)c1cc(N2C(=O)NC(CO)C2CO)no1
InChIInChI=1S/C12H19N3O4/c1-12(2,3)9-4-10(14-19-9)15-8(6-17)7(5-16)13-11(15)18/h4,7-8,16-17H,5-6H2,1-3H3,(H,13,18)
InChIKeyQDQMATITUNSFJP-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.22
Rot. Bonds3

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-bis(hydroxymethyl)imidazolidin-2-one

1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-bis(hydroxymethyl)imidazolidin-2-one (PubChem CID 70566857) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-bis(hydroxymethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-bis(hydroxymethyl)imidazolidin-2-one
PubChem CID70566857
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-bis(hydroxymethyl)imidazolidin-2-one
SMILESCC(C)(C)c1cc(N2C(=O)NC(CO)C2CO)no1
InChIInChI=1S/C12H19N3O4/c1-12(2,3)9-4-10(14-19-9)15-8(6-17)7(5-16)13-11(15)18/h4,7-8,16-17H,5-6H2,1-3H3,(H,13,18)
InChIKeyQDQMATITUNSFJP-UHFFFAOYSA-N
XLogP0.22
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-bis(hydroxymethyl)imidazolidin-2-one?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-bis(hydroxymethyl)imidazolidin-2-one (CID 70566857) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-bis(hydroxymethyl)imidazolidin-2-one.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-bis(hydroxymethyl)imidazolidin-2-one?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-bis(hydroxymethyl)imidazolidin-2-one is CC(C)(C)c1cc(N2C(=O)NC(CO)C2CO)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-bis(hydroxymethyl)imidazolidin-2-one?
The InChIKey is QDQMATITUNSFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-12(2,3)9-4-10(14-19-9)15-8(6-17)7(5-16)13-11(15)18/h4,7-8,16-17H,5-6H2,1-3H3,(H,13,18).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-bis(hydroxymethyl)imidazolidin-2-one?
1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-bis(hydroxymethyl)imidazolidin-2-one has a molecular weight of 269.30 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-bis(hydroxymethyl)imidazolidin-2-one is sourced from PubChem (CID 70566857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).