phenyl-bis[2-(4-phenyl-1,3-oxazol-2-yl)ethyl]phosphane

C28H25N2O2P — CID 142879776

IUPACphenyl-bis[2-(4-phenyl-1,3-oxazol-2-yl)ethyl]phosphane
SMILESc1ccc(-c2coc(CCP(CCc3nc(-c4ccccc4)co3)c3ccccc3)n2)cc1
InChIInChI=1S/C28H25N2O2P/c1-4-10-22(11-5-1)25-20-31-27(29-25)16-18-33(24-14-8-3-9-15-24)19-17-28-30-26(21-32-28)23-12-6-2-7-13-23/h1-15,20-21H,16-19H2
InChIKeyNCODPTXXWMACJU-UHFFFAOYSA-N
MW452.49 g/mol
LogP6.59
Rot. Bonds9

About phenyl-bis[2-(4-phenyl-1,3-oxazol-2-yl)ethyl]phosphane

phenyl-bis[2-(4-phenyl-1,3-oxazol-2-yl)ethyl]phosphane (PubChem CID 142879776) has the molecular formula C28H25N2O2P and a molecular weight of 452.49 g/mol. Its IUPAC name is phenyl-bis[2-(4-phenyl-1,3-oxazol-2-yl)ethyl]phosphane.

Molecular Properties

Compound Namephenyl-bis[2-(4-phenyl-1,3-oxazol-2-yl)ethyl]phosphane
PubChem CID142879776
Molecular FormulaC28H25N2O2P
Molecular Weight452.49 g/mol
Exact Mass452.17
IUPAC Namephenyl-bis[2-(4-phenyl-1,3-oxazol-2-yl)ethyl]phosphane
SMILESc1ccc(-c2coc(CCP(CCc3nc(-c4ccccc4)co3)c3ccccc3)n2)cc1
InChIInChI=1S/C28H25N2O2P/c1-4-10-22(11-5-1)25-20-31-27(29-25)16-18-33(24-14-8-3-9-15-24)19-17-28-30-26(21-32-28)23-12-6-2-7-13-23/h1-15,20-21H,16-19H2
InChIKeyNCODPTXXWMACJU-UHFFFAOYSA-N
XLogP6.59
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.49
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-4-phenyl-1,3-oxazole
CID 15133748
1-phenyl-2-(4-phenyl-1,3-oxazol-2-yl)ethanol
CID 12857978
2-[4-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 105454374
3-(2-benzyl-1,3-oxazol-4-yl)phenol
CID 115046801
3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]phenol
CID 115031213
N-methyl-4-phenyl-1,3-oxazol-2-amine
CID 71648010
4-(4-chlorophenyl)-2-(phenylmethoxymethyl)-1,3-oxazole
CID 59402951
3-[4-(3-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 115031927
3-(4-phenyl-1,3-oxazol-2-yl)phenol
CID 115041984
2-benzyl-5-[[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 86895358
3-[4-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-ol
CID 115051821
[4-(4-bromophenyl)-1,3-oxazol-2-yl]methanamine
CID 82298406

Frequently Asked Questions

What is the IUPAC name of phenyl-bis[2-(4-phenyl-1,3-oxazol-2-yl)ethyl]phosphane?
The IUPAC name of phenyl-bis[2-(4-phenyl-1,3-oxazol-2-yl)ethyl]phosphane (CID 142879776) is phenyl-bis[2-(4-phenyl-1,3-oxazol-2-yl)ethyl]phosphane.
What is the SMILES notation for phenyl-bis[2-(4-phenyl-1,3-oxazol-2-yl)ethyl]phosphane?
The canonical SMILES for phenyl-bis[2-(4-phenyl-1,3-oxazol-2-yl)ethyl]phosphane is c1ccc(-c2coc(CCP(CCc3nc(-c4ccccc4)co3)c3ccccc3)n2)cc1.
What is the InChIKey of phenyl-bis[2-(4-phenyl-1,3-oxazol-2-yl)ethyl]phosphane?
The InChIKey is NCODPTXXWMACJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N2O2P/c1-4-10-22(11-5-1)25-20-31-27(29-25)16-18-33(24-14-8-3-9-15-24)19-17-28-30-26(21-32-28)23-12-6-2-7-13-23/h1-15,20-21H,16-19H2.
What are the key properties of phenyl-bis[2-(4-phenyl-1,3-oxazol-2-yl)ethyl]phosphane?
phenyl-bis[2-(4-phenyl-1,3-oxazol-2-yl)ethyl]phosphane has a molecular weight of 452.49 g/mol, XLogP of 6.59, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-bis[2-(4-phenyl-1,3-oxazol-2-yl)ethyl]phosphane is sourced from PubChem (CID 142879776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).