[(4-fluorophenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane

C25H33FNO2PSi — CID 101004979

IUPAC[(4-fluorophenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane
SMILESCC(C)P(C(C)C)C(c1ccc(F)cc1)c1nc(-c2ccccc2)oc1O[Si](C)(C)C
InChIInChI=1S/C25H33FNO2PSi/c1-17(2)30(18(3)4)23(19-13-15-21(26)16-14-19)22-25(29-31(5,6)7)28-24(27-22)20-11-9-8-10-12-20/h8-18,23H,1-7H3
InChIKeyIBQMJFCJYRLVLJ-UHFFFAOYSA-N
MW457.60 g/mol
LogP8.08
Rot. Bonds8

About [(4-fluorophenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane

[(4-fluorophenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane (PubChem CID 101004979) has the molecular formula C25H33FNO2PSi and a molecular weight of 457.60 g/mol. Its IUPAC name is [(4-fluorophenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name[(4-fluorophenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane
PubChem CID101004979
Molecular FormulaC25H33FNO2PSi
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name[(4-fluorophenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane
SMILESCC(C)P(C(C)C)C(c1ccc(F)cc1)c1nc(-c2ccccc2)oc1O[Si](C)(C)C
InChIInChI=1S/C25H33FNO2PSi/c1-17(2)30(18(3)4)23(19-13-15-21(26)16-14-19)22-25(29-31(5,6)7)28-24(27-22)20-11-9-8-10-12-20/h8-18,23H,1-7H3
InChIKeyIBQMJFCJYRLVLJ-UHFFFAOYSA-N
XLogP8.08
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.60
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(4-methoxyphenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane
CID 101004978
2-phenyl-4-propan-2-yl-5-propan-2-yloxy-1,3-oxazole
CID 25215073
5-[(4-fluorophenyl)-methylsulfonylmethyl]-2,4-diphenyl-1,3-oxazole
CID 71713720
(1R)-1-(4-fluorophenyl)-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 94015415
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727103
5-[[(2S)-2-(4-fluorophenyl)pentyl]amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 100829600
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 39818945
2-[bis(4-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 52527187
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate
CID 16588676
N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylaniline
CID 20944407
5-[(2R)-butan-2-yl]sulfanyl-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole
CID 2156995
1-[1-(4-fluorophenyl)ethyl]indazole
CID 173016436

Frequently Asked Questions

What is the IUPAC name of [(4-fluorophenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane?
The IUPAC name of [(4-fluorophenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane (CID 101004979) is [(4-fluorophenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane.
What is the SMILES notation for [(4-fluorophenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane?
The canonical SMILES for [(4-fluorophenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane is CC(C)P(C(C)C)C(c1ccc(F)cc1)c1nc(-c2ccccc2)oc1O[Si](C)(C)C.
What is the InChIKey of [(4-fluorophenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane?
The InChIKey is IBQMJFCJYRLVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FNO2PSi/c1-17(2)30(18(3)4)23(19-13-15-21(26)16-14-19)22-25(29-31(5,6)7)28-24(27-22)20-11-9-8-10-12-20/h8-18,23H,1-7H3.
What are the key properties of [(4-fluorophenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane?
[(4-fluorophenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane has a molecular weight of 457.60 g/mol, XLogP of 8.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-fluorophenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane is sourced from PubChem (CID 101004979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).