5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one

C12H10N2O2 — CID 135400197

IUPAC5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one
SMILESC#CC/N=C1/NC(=O)C(c2ccccc2)O1
InChIInChI=1S/C12H10N2O2/c1-2-8-13-12-14-11(15)10(16-12)9-6-4-3-5-7-9/h1,3-7,10H,8H2,(H,13,14,15)
InChIKeyWWTYGEPOGPVBJS-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.86
Rot. Bonds2

About 5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one

5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one (PubChem CID 135400197) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one
PubChem CID135400197
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one
SMILESC#CC/N=C1/NC(=O)C(c2ccccc2)O1
InChIInChI=1S/C12H10N2O2/c1-2-8-13-12-14-11(15)10(16-12)9-6-4-3-5-7-9/h1,3-7,10H,8H2,(H,13,14,15)
InChIKeyWWTYGEPOGPVBJS-UHFFFAOYSA-N
XLogP0.86
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one?
The IUPAC name of 5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one (CID 135400197) is 5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one.
What is the SMILES notation for 5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one?
The canonical SMILES for 5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one is C#CC/N=C1/NC(=O)C(c2ccccc2)O1.
What is the InChIKey of 5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one?
The InChIKey is WWTYGEPOGPVBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-2-8-13-12-14-11(15)10(16-12)9-6-4-3-5-7-9/h1,3-7,10H,8H2,(H,13,14,15).
What are the key properties of 5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one?
5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one has a molecular weight of 214.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one is sourced from PubChem (CID 135400197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).