1-(5-tert-butyl-1,2-oxazol-3-yl)-6-hydroxy-3,4-dimethyl-1,3-diazinan-2-one

C13H21N3O3 — CID 147309957

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-6-hydroxy-3,4-dimethyl-1,3-diazinan-2-one
SMILESCC1CC(O)N(c2cc(C(C)(C)C)on2)C(=O)N1C
InChIInChI=1S/C13H21N3O3/c1-8-6-11(17)16(12(18)15(8)5)10-7-9(19-14-10)13(2,3)4/h7-8,11,17H,6H2,1-5H3
InChIKeyCXTPWICVXLTRDP-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.94
Rot. Bonds1

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-6-hydroxy-3,4-dimethyl-1,3-diazinan-2-one

1-(5-tert-butyl-1,2-oxazol-3-yl)-6-hydroxy-3,4-dimethyl-1,3-diazinan-2-one (PubChem CID 147309957) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-6-hydroxy-3,4-dimethyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-6-hydroxy-3,4-dimethyl-1,3-diazinan-2-one
PubChem CID147309957
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-6-hydroxy-3,4-dimethyl-1,3-diazinan-2-one
SMILESCC1CC(O)N(c2cc(C(C)(C)C)on2)C(=O)N1C
InChIInChI=1S/C13H21N3O3/c1-8-6-11(17)16(12(18)15(8)5)10-7-9(19-14-10)13(2,3)4/h7-8,11,17H,6H2,1-5H3
InChIKeyCXTPWICVXLTRDP-UHFFFAOYSA-N
XLogP1.94
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-6-hydroxy-3,4-dimethyl-1,3-diazinan-2-one?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-6-hydroxy-3,4-dimethyl-1,3-diazinan-2-one (CID 147309957) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-6-hydroxy-3,4-dimethyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-6-hydroxy-3,4-dimethyl-1,3-diazinan-2-one?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-6-hydroxy-3,4-dimethyl-1,3-diazinan-2-one is CC1CC(O)N(c2cc(C(C)(C)C)on2)C(=O)N1C.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-6-hydroxy-3,4-dimethyl-1,3-diazinan-2-one?
The InChIKey is CXTPWICVXLTRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8-6-11(17)16(12(18)15(8)5)10-7-9(19-14-10)13(2,3)4/h7-8,11,17H,6H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-6-hydroxy-3,4-dimethyl-1,3-diazinan-2-one?
1-(5-tert-butyl-1,2-oxazol-3-yl)-6-hydroxy-3,4-dimethyl-1,3-diazinan-2-one has a molecular weight of 267.33 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-6-hydroxy-3,4-dimethyl-1,3-diazinan-2-one is sourced from PubChem (CID 147309957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).