3-benzyl-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one

C15H19NO2 — CID 73062331

IUPAC3-benzyl-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CC1OC(=O)N(Cc2ccccc2)C1C(C)C
InChIInChI=1S/C15H19NO2/c1-4-13-14(11(2)3)16(15(17)18-13)10-12-8-6-5-7-9-12/h4-9,11,13-14H,1,10H2,2-3H3
InChIKeyRQGDIBMOHYENHP-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.22
Rot. Bonds4

About 3-benzyl-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one

3-benzyl-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 73062331) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-benzyl-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-benzyl-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID73062331
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-benzyl-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CC1OC(=O)N(Cc2ccccc2)C1C(C)C
InChIInChI=1S/C15H19NO2/c1-4-13-14(11(2)3)16(15(17)18-13)10-12-8-6-5-7-9-12/h4-9,11,13-14H,1,10H2,2-3H3
InChIKeyRQGDIBMOHYENHP-UHFFFAOYSA-N
XLogP3.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Encyprate
CID 17298
4-Hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 3438279
(R)-3-(biphenyl-4-ylmethyl)-5-methyloxazolidin-2-one
CID 25173776
3-(Dimethylamino)butyl benzyl(methyl)carbamate
CID 44570008
3-Benzyl-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
CID 689214
2-(Pyrrolidin-1-yl)ethyl hydrogen (1-phenylethyl)carbonimidate--hydrogen chloride (1/1)
CID 58040
2-Oxazolidinone, 3-benzyl-5-(2-propynyloxymethyl)-
CID 211831
(R)-N-Boc-2-phenylpyrrolidine
CID 24859471
(5R)-5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 24752751
(R)-3-(4-((cyclohexyl(methyl)amino)methyl)benzyl)-5-methyloxazolidin-2-one
CID 44591685
(5R)-5-methyl-3-(4-(1-(piperidin-1-yl)ethyl)benzyl)oxazolidin-2-one
CID 44591686
3-Benzyl-5-methyl-1,3-oxazolidine-2,4-dione
CID 53355704

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-benzyl-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 73062331) is 3-benzyl-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-benzyl-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-benzyl-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one is C=CC1OC(=O)N(Cc2ccccc2)C1C(C)C.
What is the InChIKey of 3-benzyl-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is RQGDIBMOHYENHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-13-14(11(2)3)16(15(17)18-13)10-12-8-6-5-7-9-12/h4-9,11,13-14H,1,10H2,2-3H3.
What are the key properties of 3-benzyl-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
3-benzyl-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 245.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 73062331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).