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

C12H19N3O3 — CID 155224865

IUPAC3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one
SMILESCN1CCC(O)N(c2cc(C(C)(C)C)no2)C1=O
InChIInChI=1S/C12H19N3O3/c1-12(2,3)8-7-10(18-13-8)15-9(16)5-6-14(4)11(15)17/h7,9,16H,5-6H2,1-4H3
InChIKeyRCZJMIOJRMDATG-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.55
Rot. Bonds1

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

3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one (PubChem CID 155224865) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one
PubChem CID155224865
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one
SMILESCN1CCC(O)N(c2cc(C(C)(C)C)no2)C1=O
InChIInChI=1S/C12H19N3O3/c1-12(2,3)8-7-10(18-13-8)15-9(16)5-6-14(4)11(15)17/h7,9,16H,5-6H2,1-4H3
InChIKeyRCZJMIOJRMDATG-UHFFFAOYSA-N
XLogP1.55
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]-4-hydroxy-1-methylimidazolidin-2-one
CID 121324760
1-(3-tert-butyl-1,2-oxazol-5-yl)-5-hydroxyimidazolidine-2,4-dione
CID 70491766
3-tert-butyl-5-piperazin-1-yl-1,2-oxazole
CID 116825944
5-ethyl-4-hydroxy-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]imidazolidin-2-one
CID 20560606
1-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168716862
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-methyl-3-(oxan-4-ylsulfonyl)pyrrolidin-2-one
CID 44609907
4-hydroxy-1-methyl-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one
CID 121324759
3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one
CID 21481855
3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one
CID 21481857
4-hydroxy-1-methyl-3-[3-(2-phenylpropan-2-yl)-1,2-oxazol-5-yl]-5-prop-2-enylimidazolidin-2-one
CID 20560666
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 121324923
1-(5-tert-butyl-1,2-oxazol-3-yl)-6-hydroxy-3,4-dimethyl-1,3-diazinan-2-one
CID 147309957

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one?
The IUPAC name of 3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one (CID 155224865) is 3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one.
What is the SMILES notation for 3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one?
The canonical SMILES for 3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one is CN1CCC(O)N(c2cc(C(C)(C)C)no2)C1=O.
What is the InChIKey of 3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one?
The InChIKey is RCZJMIOJRMDATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(2,3)8-7-10(18-13-8)15-9(16)5-6-14(4)11(15)17/h7,9,16H,5-6H2,1-4H3.
What are the key properties of 3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one?
3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one has a molecular weight of 253.30 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one is sourced from PubChem (CID 155224865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).