5,5-dimethyl-3-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one

C15H16N2O4 — CID 25212639

IUPAC5,5-dimethyl-3-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
SMILESCC1(C)CN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)C(=O)O1
InChIInChI=1S/C15H16N2O4/c1-15(2)9-17(14(19)20-15)13(18)12-8-11(16-21-12)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3/t12-/m0/s1
InChIKeyOUTRPRGDOSKABY-LBPRGKRZSA-N
MW288.30 g/mol
LogP1.94
Rot. Bonds2

About 5,5-dimethyl-3-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one

5,5-dimethyl-3-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 25212639) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5,5-dimethyl-3-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
PubChem CID25212639
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name5,5-dimethyl-3-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
SMILESCC1(C)CN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)C(=O)O1
InChIInChI=1S/C15H16N2O4/c1-15(2)9-17(14(19)20-15)13(18)12-8-11(16-21-12)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3/t12-/m0/s1
InChIKeyOUTRPRGDOSKABY-LBPRGKRZSA-N
XLogP1.94
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5,5-dimethyl-3-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one (CID 25212639) is 5,5-dimethyl-3-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-3-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5,5-dimethyl-3-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one is CC1(C)CN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)C(=O)O1.
What is the InChIKey of 5,5-dimethyl-3-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is OUTRPRGDOSKABY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-15(2)9-17(14(19)20-15)13(18)12-8-11(16-21-12)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of 5,5-dimethyl-3-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
5,5-dimethyl-3-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 288.30 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 25212639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).