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

C12H23NO2 — CID 20621355

IUPAC1-[2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1C(CC(C)C)COC1(C)C
InChIInChI=1S/C12H23NO2/c1-6-11(14)13-10(7-9(2)3)8-15-12(13,4)5/h9-10H,6-8H2,1-5H3
InChIKeyYASOQCZMMGCMMD-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.41
Rot. Bonds3

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

1-[2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-1-one (PubChem CID 20621355) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-1-one
PubChem CID20621355
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1C(CC(C)C)COC1(C)C
InChIInChI=1S/C12H23NO2/c1-6-11(14)13-10(7-9(2)3)8-15-12(13,4)5/h9-10H,6-8H2,1-5H3
InChIKeyYASOQCZMMGCMMD-UHFFFAOYSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.41
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-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-1-one?
The IUPAC name of 1-[2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-1-one (CID 20621355) is 1-[2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-1-one.
What is the SMILES notation for 1-[2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-1-one?
The canonical SMILES for 1-[2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-1-one is CCC(=O)N1C(CC(C)C)COC1(C)C.
What is the InChIKey of 1-[2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-1-one?
The InChIKey is YASOQCZMMGCMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-11(14)13-10(7-9(2)3)8-15-12(13,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-[2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-1-one?
1-[2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-1-one has a molecular weight of 213.32 g/mol, XLogP of 2.41, 3 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-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-1-one is sourced from PubChem (CID 20621355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).