ethane;ethene;4-phenyl-1,3-oxazolidin-2-one

C13H19NO2 — CID 144602725

IUPACethane;ethene;4-phenyl-1,3-oxazolidin-2-one
SMILESC=C.CC.O=C1NC(c2ccccc2)CO1
InChIInChI=1S/C9H9NO2.C2H6.C2H4/c11-9-10-8(6-12-9)7-4-2-1-3-5-7;2*1-2/h1-5,8H,6H2,(H,10,11);1-2H3;1-2H2
InChIKeyBVJCKLRACPGSFY-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.30
Rot. Bonds1

About ethane;ethene;4-phenyl-1,3-oxazolidin-2-one

ethane;ethene;4-phenyl-1,3-oxazolidin-2-one (PubChem CID 144602725) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is ethane;ethene;4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Nameethane;ethene;4-phenyl-1,3-oxazolidin-2-one
PubChem CID144602725
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameethane;ethene;4-phenyl-1,3-oxazolidin-2-one
SMILESC=C.CC.O=C1NC(c2ccccc2)CO1
InChIInChI=1S/C9H9NO2.C2H6.C2H4/c11-9-10-8(6-12-9)7-4-2-1-3-5-7;2*1-2/h1-5,8H,6H2,(H,10,11);1-2H3;1-2H2
InChIKeyBVJCKLRACPGSFY-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
(4R)-4-(4-phenoxyphenyl)-1,3-oxazolidin-2-one
CID 171184568
4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 140700977
4-(3-cyclopropylphenyl)-1,3-oxazolidin-2-one
CID 79977917
ethane;4-phenyl-1,3-oxazolidine-2-thione
CID 54377215
(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
4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 170343835
(4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184265
(4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 124509749
(4S)-4-(3-ethoxyphenyl)-1,3-oxazolidin-2-one
CID 171183868
(4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183820

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of ethane;ethene;4-phenyl-1,3-oxazolidin-2-one (CID 144602725) is ethane;ethene;4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for ethane;ethene;4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for ethane;ethene;4-phenyl-1,3-oxazolidin-2-one is C=C.CC.O=C1NC(c2ccccc2)CO1.
What is the InChIKey of ethane;ethene;4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is BVJCKLRACPGSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.C2H6.C2H4/c11-9-10-8(6-12-9)7-4-2-1-3-5-7;2*1-2/h1-5,8H,6H2,(H,10,11);1-2H3;1-2H2.
What are the key properties of ethane;ethene;4-phenyl-1,3-oxazolidin-2-one?
ethane;ethene;4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 221.30 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 144602725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).