4,5-dihydro-1,3-oxazole;phosphane

C3H8NOP — CID 66627857

IUPAC4,5-dihydro-1,3-oxazole;phosphane
SMILESC1=NCCO1.P
InChIInChI=1S/C3H5NO.H3P/c1-2-5-3-4-1;/h3H,1-2H2;1H3
InChIKeyNHFAABIHBNXKDT-UHFFFAOYSA-N
MW105.08 g/mol
LogP0.10
Rot. Bonds

About 4,5-dihydro-1,3-oxazole;phosphane

4,5-dihydro-1,3-oxazole;phosphane (PubChem CID 66627857) has the molecular formula C3H8NOP and a molecular weight of 105.08 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazole;phosphane.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazole;phosphane
PubChem CID66627857
Molecular FormulaC3H8NOP
Molecular Weight105.08 g/mol
Exact Mass105.03
IUPAC Name4,5-dihydro-1,3-oxazole;phosphane
SMILESC1=NCCO1.P
InChIInChI=1S/C3H5NO.H3P/c1-2-5-3-4-1;/h3H,1-2H2;1H3
InChIKeyNHFAABIHBNXKDT-UHFFFAOYSA-N
XLogP0.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.08
LogP ≤ 50.10
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 4,5-dihydro-1,3-oxazole;phosphane?
The IUPAC name of 4,5-dihydro-1,3-oxazole;phosphane (CID 66627857) is 4,5-dihydro-1,3-oxazole;phosphane.
What is the SMILES notation for 4,5-dihydro-1,3-oxazole;phosphane?
The canonical SMILES for 4,5-dihydro-1,3-oxazole;phosphane is C1=NCCO1.P.
What is the InChIKey of 4,5-dihydro-1,3-oxazole;phosphane?
The InChIKey is NHFAABIHBNXKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.H3P/c1-2-5-3-4-1;/h3H,1-2H2;1H3.
What are the key properties of 4,5-dihydro-1,3-oxazole;phosphane?
4,5-dihydro-1,3-oxazole;phosphane has a molecular weight of 105.08 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazole;phosphane is sourced from PubChem (CID 66627857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).