3-(2-phenyl-1,3-oxazol-5-yl)pentan-3-ylphosphonic acid

C14H18NO4P — CID 19995245

IUPAC3-(2-phenyl-1,3-oxazol-5-yl)pentan-3-ylphosphonic acid
SMILESCCC(CC)(c1cnc(-c2ccccc2)o1)P(=O)(O)O
InChIInChI=1S/C14H18NO4P/c1-3-14(4-2,20(16,17)18)12-10-15-13(19-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyDAVZHINVYPNVLN-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.53
Rot. Bonds5

About 3-(2-phenyl-1,3-oxazol-5-yl)pentan-3-ylphosphonic acid

3-(2-phenyl-1,3-oxazol-5-yl)pentan-3-ylphosphonic acid (PubChem CID 19995245) has the molecular formula C14H18NO4P and a molecular weight of 295.27 g/mol. Its IUPAC name is 3-(2-phenyl-1,3-oxazol-5-yl)pentan-3-ylphosphonic acid.

Molecular Properties

Compound Name3-(2-phenyl-1,3-oxazol-5-yl)pentan-3-ylphosphonic acid
PubChem CID19995245
Molecular FormulaC14H18NO4P
Molecular Weight295.27 g/mol
Exact Mass295.10
IUPAC Name3-(2-phenyl-1,3-oxazol-5-yl)pentan-3-ylphosphonic acid
SMILESCCC(CC)(c1cnc(-c2ccccc2)o1)P(=O)(O)O
InChIInChI=1S/C14H18NO4P/c1-3-14(4-2,20(16,17)18)12-10-15-13(19-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyDAVZHINVYPNVLN-UHFFFAOYSA-N
XLogP3.53
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenyl-1,3-oxazol-5-yl)ethanol
CID 115087081
N-(2-ethoxyphenyl)-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681476
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
tributyl-(2-phenyl-1,3-oxazol-5-yl)stannane
CID 10646461
2-(2-phenyl-1,3-oxazol-5-yl)propan-1-amine
CID 115087133
5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
5-(dimethoxymethyl)-2-phenyl-1,3-oxazole
CID 177437797
2-(2-phenyl-1,3-oxazol-5-yl)phenol
CID 11128316
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
N-[(3-methylphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681408
2-(5-phenyl-1,3-oxazol-2-yl)-N-propylbenzamide
CID 24654497
N-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 46249412

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyl-1,3-oxazol-5-yl)pentan-3-ylphosphonic acid?
The IUPAC name of 3-(2-phenyl-1,3-oxazol-5-yl)pentan-3-ylphosphonic acid (CID 19995245) is 3-(2-phenyl-1,3-oxazol-5-yl)pentan-3-ylphosphonic acid.
What is the SMILES notation for 3-(2-phenyl-1,3-oxazol-5-yl)pentan-3-ylphosphonic acid?
The canonical SMILES for 3-(2-phenyl-1,3-oxazol-5-yl)pentan-3-ylphosphonic acid is CCC(CC)(c1cnc(-c2ccccc2)o1)P(=O)(O)O.
What is the InChIKey of 3-(2-phenyl-1,3-oxazol-5-yl)pentan-3-ylphosphonic acid?
The InChIKey is DAVZHINVYPNVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18NO4P/c1-3-14(4-2,20(16,17)18)12-10-15-13(19-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H2,16,17,18).
What are the key properties of 3-(2-phenyl-1,3-oxazol-5-yl)pentan-3-ylphosphonic acid?
3-(2-phenyl-1,3-oxazol-5-yl)pentan-3-ylphosphonic acid has a molecular weight of 295.27 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenyl-1,3-oxazol-5-yl)pentan-3-ylphosphonic acid is sourced from PubChem (CID 19995245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).