1-(2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propan-1-one

C11H21NO2 — CID 20621356

IUPAC1-(2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propan-1-one
SMILESCCC(=O)N1C(C(C)C)COC1(C)C
InChIInChI=1S/C11H21NO2/c1-6-10(13)12-9(8(2)3)7-14-11(12,4)5/h8-9H,6-7H2,1-5H3
InChIKeyCUQXJVAHTWPLOV-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.02
Rot. Bonds2

About 1-(2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propan-1-one

1-(2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propan-1-one (PubChem CID 20621356) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propan-1-one
PubChem CID20621356
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propan-1-one
SMILESCCC(=O)N1C(C(C)C)COC1(C)C
InChIInChI=1S/C11H21NO2/c1-6-10(13)12-9(8(2)3)7-14-11(12,4)5/h8-9H,6-7H2,1-5H3
InChIKeyCUQXJVAHTWPLOV-UHFFFAOYSA-N
XLogP2.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propan-1-one?
The IUPAC name of 1-(2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propan-1-one (CID 20621356) is 1-(2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propan-1-one.
What is the SMILES notation for 1-(2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propan-1-one?
The canonical SMILES for 1-(2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propan-1-one is CCC(=O)N1C(C(C)C)COC1(C)C.
What is the InChIKey of 1-(2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propan-1-one?
The InChIKey is CUQXJVAHTWPLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-10(13)12-9(8(2)3)7-14-11(12,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 1-(2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propan-1-one?
1-(2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propan-1-one has a molecular weight of 199.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propan-1-one is sourced from PubChem (CID 20621356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).