5-tert-butyl-3-methyl-6-propan-2-yl-1,3-oxazine-2,4-dione

C12H19NO3 — CID 23600274

IUPAC5-tert-butyl-3-methyl-6-propan-2-yl-1,3-oxazine-2,4-dione
SMILESCC(C)c1oc(=O)n(C)c(=O)c1C(C)(C)C
InChIInChI=1S/C12H19NO3/c1-7(2)9-8(12(3,4)5)10(14)13(6)11(15)16-9/h7H,1-6H3
InChIKeySHQZHDHBCLZBKN-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.76
Rot. Bonds1

About 5-tert-butyl-3-methyl-6-propan-2-yl-1,3-oxazine-2,4-dione

5-tert-butyl-3-methyl-6-propan-2-yl-1,3-oxazine-2,4-dione (PubChem CID 23600274) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-tert-butyl-3-methyl-6-propan-2-yl-1,3-oxazine-2,4-dione.

Molecular Properties

Compound Name5-tert-butyl-3-methyl-6-propan-2-yl-1,3-oxazine-2,4-dione
PubChem CID23600274
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name5-tert-butyl-3-methyl-6-propan-2-yl-1,3-oxazine-2,4-dione
SMILESCC(C)c1oc(=O)n(C)c(=O)c1C(C)(C)C
InChIInChI=1S/C12H19NO3/c1-7(2)9-8(12(3,4)5)10(14)13(6)11(15)16-9/h7H,1-6H3
InChIKeySHQZHDHBCLZBKN-UHFFFAOYSA-N
XLogP1.76
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methyl-6-propan-2-yl-1,3-oxazine-2,4-dione?
The IUPAC name of 5-tert-butyl-3-methyl-6-propan-2-yl-1,3-oxazine-2,4-dione (CID 23600274) is 5-tert-butyl-3-methyl-6-propan-2-yl-1,3-oxazine-2,4-dione.
What is the SMILES notation for 5-tert-butyl-3-methyl-6-propan-2-yl-1,3-oxazine-2,4-dione?
The canonical SMILES for 5-tert-butyl-3-methyl-6-propan-2-yl-1,3-oxazine-2,4-dione is CC(C)c1oc(=O)n(C)c(=O)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-3-methyl-6-propan-2-yl-1,3-oxazine-2,4-dione?
The InChIKey is SHQZHDHBCLZBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-7(2)9-8(12(3,4)5)10(14)13(6)11(15)16-9/h7H,1-6H3.
What are the key properties of 5-tert-butyl-3-methyl-6-propan-2-yl-1,3-oxazine-2,4-dione?
5-tert-butyl-3-methyl-6-propan-2-yl-1,3-oxazine-2,4-dione has a molecular weight of 225.29 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methyl-6-propan-2-yl-1,3-oxazine-2,4-dione is sourced from PubChem (CID 23600274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).