2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one

C14H20N2O2 — CID 129188709

IUPAC2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one
SMILESCc1ccc([C@@H]2CCON2C(=O)C(C)(C)C)cn1
InChIInChI=1S/C14H20N2O2/c1-10-5-6-11(9-15-10)12-7-8-18-16(12)13(17)14(2,3)4/h5-6,9,12H,7-8H2,1-4H3/t12-/m0/s1
InChIKeyMNAUVZUJGDRAMU-LBPRGKRZSA-N
MW248.33 g/mol
LogP2.64
Rot. Bonds1

About 2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one

2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one (PubChem CID 129188709) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one
PubChem CID129188709
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one
SMILESCc1ccc([C@@H]2CCON2C(=O)C(C)(C)C)cn1
InChIInChI=1S/C14H20N2O2/c1-10-5-6-11(9-15-10)12-7-8-18-16(12)13(17)14(2,3)4/h5-6,9,12H,7-8H2,1-4H3/t12-/m0/s1
InChIKeyMNAUVZUJGDRAMU-LBPRGKRZSA-N
XLogP2.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one (CID 129188709) is 2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one is Cc1ccc([C@@H]2CCON2C(=O)C(C)(C)C)cn1.
What is the InChIKey of 2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one?
The InChIKey is MNAUVZUJGDRAMU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-5-6-11(9-15-10)12-7-8-18-16(12)13(17)14(2,3)4/h5-6,9,12H,7-8H2,1-4H3/t12-/m0/s1.
What are the key properties of 2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one?
2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one has a molecular weight of 248.33 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one is sourced from PubChem (CID 129188709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).