benzene;ethane;4H-1,2-oxazol-5-one

C11H15NO2 — CID 142816935

IUPACbenzene;ethane;4H-1,2-oxazol-5-one
SMILESCC.O=C1CC=NO1.c1ccccc1
InChIInChI=1S/C6H6.C3H3NO2.C2H6/c1-2-4-6-5-3-1;5-3-1-2-4-6-3;1-2/h1-6H;2H,1H2;1-2H3
InChIKeyQUYPNJFTCLIURX-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.63
Rot. Bonds

About benzene;ethane;4H-1,2-oxazol-5-one

benzene;ethane;4H-1,2-oxazol-5-one (PubChem CID 142816935) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is benzene;ethane;4H-1,2-oxazol-5-one.

Molecular Properties

Compound Namebenzene;ethane;4H-1,2-oxazol-5-one
PubChem CID142816935
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namebenzene;ethane;4H-1,2-oxazol-5-one
SMILESCC.O=C1CC=NO1.c1ccccc1
InChIInChI=1S/C6H6.C3H3NO2.C2H6/c1-2-4-6-5-3-1;5-3-1-2-4-6-3;1-2/h1-6H;2H,1H2;1-2H3
InChIKeyQUYPNJFTCLIURX-UHFFFAOYSA-N
XLogP2.63
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;4H-1,2-oxazol-5-one?
The IUPAC name of benzene;ethane;4H-1,2-oxazol-5-one (CID 142816935) is benzene;ethane;4H-1,2-oxazol-5-one.
What is the SMILES notation for benzene;ethane;4H-1,2-oxazol-5-one?
The canonical SMILES for benzene;ethane;4H-1,2-oxazol-5-one is CC.O=C1CC=NO1.c1ccccc1.
What is the InChIKey of benzene;ethane;4H-1,2-oxazol-5-one?
The InChIKey is QUYPNJFTCLIURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H3NO2.C2H6/c1-2-4-6-5-3-1;5-3-1-2-4-6-3;1-2/h1-6H;2H,1H2;1-2H3.
What are the key properties of benzene;ethane;4H-1,2-oxazol-5-one?
benzene;ethane;4H-1,2-oxazol-5-one has a molecular weight of 193.25 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;4H-1,2-oxazol-5-one is sourced from PubChem (CID 142816935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).