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

C15H19NO3 — CID 118888246

IUPAC(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)CC(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C15H19NO3/c1-15(2,3)9-13(17)16-12(10-19-14(16)18)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m0/s1
InChIKeyRCGLSIQFOCTVME-LBPRGKRZSA-N
MW261.32 g/mol
LogP3.14
Rot. Bonds2

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

(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 118888246) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
PubChem CID118888246
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)CC(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C15H19NO3/c1-15(2,3)9-13(17)16-12(10-19-14(16)18)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m0/s1
InChIKeyRCGLSIQFOCTVME-LBPRGKRZSA-N
XLogP3.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
(4S)-3-[(3S)-4-methyl-3-(2-phenylethyl)-3-(trifluoromethyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 177477098
(4R)-3-[(3S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102197822
(4S)-3-[(3R)-4-methyl-3-phenylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 163564616
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
(4S)-3-[(3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3,4-dimethylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101174120
(4R)-3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 59063674
(4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one
CID 15472864
3-[(2R)-2-methyl-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 145030895
(4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101113986
(4S)-3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 67259947
3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 67259946

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one (CID 118888246) is (4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one is CC(C)(C)CC(=O)N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of (4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is RCGLSIQFOCTVME-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(2,3)9-13(17)16-12(10-19-14(16)18)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 118888246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).