[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane

C24H24NOP — CID 87601557

IUPAC[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane
SMILESCC(Cc1ccccc1P(c1ccccc1)c1ccccc1)C1=NCCO1
InChIInChI=1S/C24H24NOP/c1-19(24-25-16-17-26-24)18-20-10-8-9-15-23(20)27(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,19H,16-18H2,1H3
InChIKeyRTOMMZANENEJET-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.05
Rot. Bonds6

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

[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane (PubChem CID 87601557) has the molecular formula C24H24NOP and a molecular weight of 373.44 g/mol. Its IUPAC name is [2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane
PubChem CID87601557
Molecular FormulaC24H24NOP
Molecular Weight373.44 g/mol
Exact Mass373.16
IUPAC Name[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane
SMILESCC(Cc1ccccc1P(c1ccccc1)c1ccccc1)C1=NCCO1
InChIInChI=1S/C24H24NOP/c1-19(24-25-16-17-26-24)18-20-10-8-9-15-23(20)27(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,19H,16-18H2,1H3
InChIKeyRTOMMZANENEJET-UHFFFAOYSA-N
XLogP4.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.05
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-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane (CID 87601557) is [2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane.
What is the SMILES notation for [2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane is CC(Cc1ccccc1P(c1ccccc1)c1ccccc1)C1=NCCO1.
What is the InChIKey of [2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane?
The InChIKey is RTOMMZANENEJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24NOP/c1-19(24-25-16-17-26-24)18-20-10-8-9-15-23(20)27(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,19H,16-18H2,1H3.
What are the key properties of [2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane?
[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane has a molecular weight of 373.44 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 87601557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).