[2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-dimethylphosphane

C13H18NOP — CID 90287042

IUPAC[2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-dimethylphosphane
SMILESCC1N=C(c2ccccc2P(C)C)OC1C
InChIInChI=1S/C13H18NOP/c1-9-10(2)15-13(14-9)11-7-5-6-8-12(11)16(3)4/h5-10H,1-4H3
InChIKeyIXZRUZQAJYFVKK-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.61
Rot. Bonds2

About [2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-dimethylphosphane

[2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-dimethylphosphane (PubChem CID 90287042) has the molecular formula C13H18NOP and a molecular weight of 235.27 g/mol. Its IUPAC name is [2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-dimethylphosphane.

Molecular Properties

Compound Name[2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-dimethylphosphane
PubChem CID90287042
Molecular FormulaC13H18NOP
Molecular Weight235.27 g/mol
Exact Mass235.11
IUPAC Name[2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-dimethylphosphane
SMILESCC1N=C(c2ccccc2P(C)C)OC1C
InChIInChI=1S/C13H18NOP/c1-9-10(2)15-13(14-9)11-7-5-6-8-12(11)16(3)4/h5-10H,1-4H3
InChIKeyIXZRUZQAJYFVKK-UHFFFAOYSA-N
XLogP2.61
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-dimethylphosphane?
The IUPAC name of [2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-dimethylphosphane (CID 90287042) is [2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-dimethylphosphane.
What is the SMILES notation for [2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-dimethylphosphane?
The canonical SMILES for [2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-dimethylphosphane is CC1N=C(c2ccccc2P(C)C)OC1C.
What is the InChIKey of [2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-dimethylphosphane?
The InChIKey is IXZRUZQAJYFVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18NOP/c1-9-10(2)15-13(14-9)11-7-5-6-8-12(11)16(3)4/h5-10H,1-4H3.
What are the key properties of [2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-dimethylphosphane?
[2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-dimethylphosphane has a molecular weight of 235.27 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-dimethylphosphane is sourced from PubChem (CID 90287042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).