(4R)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

C11H13NO2 — CID 6950851

IUPAC(4R)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C11H13NO2/c1-11(2)9(12-10(13)14-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,13)/t9-/m1/s1
InChIKeyHSQRCAULDOQKPF-SECBINFHSA-N
MW191.23 g/mol
LogP2.25
Rot. Bonds1

About (4R)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

(4R)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 6950851) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (4R)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID6950851
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(4R)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C11H13NO2/c1-11(2)9(12-10(13)14-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,13)/t9-/m1/s1
InChIKeyHSQRCAULDOQKPF-SECBINFHSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-4-Benzyl-2-oxazolidinone
CID 2734969
(4R)-4-phenyl-1,3-oxazolidin-2-one
CID 730425
Carbamic acid, N-((1R)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester
CID 7016461
(S)-4-Benzyl-2-oxazolidinone
CID 736225
2-Oxazolidinone, 4-phenyl-, (4S)-
CID 730424
4-Methyl-5-phenyl-2-oxazolidinone, (4S,5R)-
CID 853161
(S)-(+)-5,5-Dimethyl-4-phenyl-2-oxazolidinone
CID 2733820
(4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone
CID 9859564
(4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinone
CID 10868374
(S)-(-)-4-Benzyl-5,5-dimethyl-2-oxazolidinone
CID 10921652
(R)-(+)-4-Benzyl-5,5-dimethyl-2-oxazolidinone
CID 11229494
4-Methyl-5-phenyl-1,3-oxazolidin-2-one
CID 250174

Frequently Asked Questions

What is the IUPAC name of (4R)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (CID 6950851) is (4R)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N[C@@H]1c1ccccc1.
What is the InChIKey of (4R)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is HSQRCAULDOQKPF-SECBINFHSA-N. The full InChI is InChI=1S/C11H13NO2/c1-11(2)9(12-10(13)14-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (4R)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
(4R)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 6950851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).