4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,3-oxazolidin-2-one

C14H14N2O3 — CID 170343835

IUPAC4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,3-oxazolidin-2-one
SMILESCc1noc(C)c1-c1ccc(C2COC(=O)N2)cc1
InChIInChI=1S/C14H14N2O3/c1-8-13(9(2)19-16-8)11-5-3-10(4-6-11)12-7-18-14(17)15-12/h3-6,12H,7H2,1-2H3,(H,15,17)
InChIKeyLEPISGMEMVUFTD-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.74
Rot. Bonds2

About 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,3-oxazolidin-2-one

4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 170343835) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID170343835
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,3-oxazolidin-2-one
SMILESCc1noc(C)c1-c1ccc(C2COC(=O)N2)cc1
InChIInChI=1S/C14H14N2O3/c1-8-13(9(2)19-16-8)11-5-3-10(4-6-11)12-7-18-14(17)15-12/h3-6,12H,7H2,1-2H3,(H,15,17)
InChIKeyLEPISGMEMVUFTD-UHFFFAOYSA-N
XLogP2.74
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;ethene;4-phenyl-1,3-oxazolidin-2-one
CID 144602725
(4R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid
CID 170343843
(4R)-4-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184269
(4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
CID 170782739
(4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
CID 171184662
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
(4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
CID 171184420
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
(4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183820
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde
CID 51063711
(4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one
CID 131173186
(4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183858

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,3-oxazolidin-2-one (CID 170343835) is 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,3-oxazolidin-2-one is Cc1noc(C)c1-c1ccc(C2COC(=O)N2)cc1.
What is the InChIKey of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is LEPISGMEMVUFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8-13(9(2)19-16-8)11-5-3-10(4-6-11)12-7-18-14(17)15-12/h3-6,12H,7H2,1-2H3,(H,15,17).
What are the key properties of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,3-oxazolidin-2-one?
4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 258.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 170343835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).