(4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one

C12H15NO2 — CID 170782739

IUPAC(4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
SMILESCC(C)c1ccc([C@@H]2COC(=O)N2)cc1
InChIInChI=1S/C12H15NO2/c1-8(2)9-3-5-10(6-4-9)11-7-15-12(14)13-11/h3-6,8,11H,7H2,1-2H3,(H,13,14)/t11-/m0/s1
InChIKeyDCLKXRCUJMEQSR-NSHDSACASA-N
MW205.26 g/mol
LogP2.59
Rot. Bonds2

About (4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one

(4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 170782739) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
PubChem CID170782739
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
SMILESCC(C)c1ccc([C@@H]2COC(=O)N2)cc1
InChIInChI=1S/C12H15NO2/c1-8(2)9-3-5-10(6-4-9)11-7-15-12(14)13-11/h3-6,8,11H,7H2,1-2H3,(H,13,14)/t11-/m0/s1
InChIKeyDCLKXRCUJMEQSR-NSHDSACASA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184269
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
ethane;ethene;4-phenyl-1,3-oxazolidin-2-one
CID 144602725
(4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184265
(4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 124509749
4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one
CID 106819070
(4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 12065059
(4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one
CID 131173186
(4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
CID 171184420
(4R)-4-(4-phenoxyphenyl)-1,3-oxazolidin-2-one
CID 171184568
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one
CID 130067478
4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one
CID 130144619

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one (CID 170782739) is (4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one is CC(C)c1ccc([C@@H]2COC(=O)N2)cc1.
What is the InChIKey of (4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is DCLKXRCUJMEQSR-NSHDSACASA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(2)9-3-5-10(6-4-9)11-7-15-12(14)13-11/h3-6,8,11H,7H2,1-2H3,(H,13,14)/t11-/m0/s1.
What are the key properties of (4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one?
(4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 170782739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).