diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)thiophen-2-yl]phosphane

C22H22NOPS — CID 58644968

IUPACdiphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)thiophen-2-yl]phosphane
SMILESCC(C)C1COC(c2ccsc2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C22H22NOPS/c1-16(2)20-15-24-21(23-20)19-13-14-26-22(19)25(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,16,20H,15H2,1-2H3
InChIKeyVFELDWGGQPYJHY-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.31
Rot. Bonds5

About diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)thiophen-2-yl]phosphane

diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)thiophen-2-yl]phosphane (PubChem CID 58644968) has the molecular formula C22H22NOPS and a molecular weight of 379.46 g/mol. Its IUPAC name is diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)thiophen-2-yl]phosphane.

Molecular Properties

Compound Namediphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)thiophen-2-yl]phosphane
PubChem CID58644968
Molecular FormulaC22H22NOPS
Molecular Weight379.46 g/mol
Exact Mass379.12
IUPAC Namediphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)thiophen-2-yl]phosphane
SMILESCC(C)C1COC(c2ccsc2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C22H22NOPS/c1-16(2)20-15-24-21(23-20)19-13-14-26-22(19)25(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,16,20H,15H2,1-2H3
InChIKeyVFELDWGGQPYJHY-UHFFFAOYSA-N
XLogP4.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)thiophen-2-yl]phosphane?
The IUPAC name of diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)thiophen-2-yl]phosphane (CID 58644968) is diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)thiophen-2-yl]phosphane.
What is the SMILES notation for diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)thiophen-2-yl]phosphane?
The canonical SMILES for diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)thiophen-2-yl]phosphane is CC(C)C1COC(c2ccsc2P(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)thiophen-2-yl]phosphane?
The InChIKey is VFELDWGGQPYJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22NOPS/c1-16(2)20-15-24-21(23-20)19-13-14-26-22(19)25(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,16,20H,15H2,1-2H3.
What are the key properties of diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)thiophen-2-yl]phosphane?
diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)thiophen-2-yl]phosphane has a molecular weight of 379.46 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)thiophen-2-yl]phosphane is sourced from PubChem (CID 58644968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).