4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one

C13H17NO2 — CID 19370117

IUPAC4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one
SMILESCCCN1C(=O)OC(c2ccccc2)C1C
InChIInChI=1S/C13H17NO2/c1-3-9-14-10(2)12(16-13(14)15)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
InChIKeyDZKXNDLVEIMMIH-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.98
Rot. Bonds3

About 4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one

4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one (PubChem CID 19370117) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one
PubChem CID19370117
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one
SMILESCCCN1C(=O)OC(c2ccccc2)C1C
InChIInChI=1S/C13H17NO2/c1-3-9-14-10(2)12(16-13(14)15)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
InChIKeyDZKXNDLVEIMMIH-UHFFFAOYSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11086728
(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
CID 58484806
(4R,5R)-3-ethyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 71101035
(4R,5S)-4-methyl-3-[(2R)-2-methylheptanoyl]-5-phenyl-1,3-oxazolidin-2-one
CID 69090577
(5R,6S)-3-butyl-5,6-diphenyl-1,3-oxazinan-2-one
CID 101240736
2-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl)octanoic acid
CID 142774649
(4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one
CID 11832333
(4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 132917281
4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide
CID 57349112
(4R,5S)-3-(2-ethoxyacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 13438718
(4R,5S)-4-methyl-3-(3-methylbuta-1,2-dienyl)-5-phenyl-1,3-oxazolidin-2-one
CID 11368522
(5S,6S)-3-(2,2-dimethylpropanoyl)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one
CID 10979140

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one (CID 19370117) is 4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one is CCCN1C(=O)OC(c2ccccc2)C1C.
What is the InChIKey of 4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one?
The InChIKey is DZKXNDLVEIMMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-9-14-10(2)12(16-13(14)15)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3.
What are the key properties of 4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one?
4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 19370117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).