2-[di(propan-2-yloxy)phosphorylmethyl]-5-phenyl-1,3,4-oxadiazole

C15H21N2O4P — CID 176515717

IUPAC2-[di(propan-2-yloxy)phosphorylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCC(C)OP(=O)(Cc1nnc(-c2ccccc2)o1)OC(C)C
InChIInChI=1S/C15H21N2O4P/c1-11(2)20-22(18,21-12(3)4)10-14-16-17-15(19-14)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKeyAKNVOXKJJCMULB-UHFFFAOYSA-N
MW324.32 g/mol
LogP4.28
Rot. Bonds7

About 2-[di(propan-2-yloxy)phosphorylmethyl]-5-phenyl-1,3,4-oxadiazole

2-[di(propan-2-yloxy)phosphorylmethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 176515717) has the molecular formula C15H21N2O4P and a molecular weight of 324.32 g/mol. Its IUPAC name is 2-[di(propan-2-yloxy)phosphorylmethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[di(propan-2-yloxy)phosphorylmethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID176515717
Molecular FormulaC15H21N2O4P
Molecular Weight324.32 g/mol
Exact Mass324.12
IUPAC Name2-[di(propan-2-yloxy)phosphorylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCC(C)OP(=O)(Cc1nnc(-c2ccccc2)o1)OC(C)C
InChIInChI=1S/C15H21N2O4P/c1-11(2)20-22(18,21-12(3)4)10-14-16-17-15(19-14)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKeyAKNVOXKJJCMULB-UHFFFAOYSA-N
XLogP4.28
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[di(propan-2-yloxy)phosphorylmethyl]-5-phenyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine
CID 84671547
2-(4-chlorophenyl)-5-(dimethoxyphosphorylmethyl)-1,3,4-oxadiazole
CID 176515688
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-phenylsulfanylpropanoate
CID 78546049
ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 178170665
N-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 46249412
1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 110653660
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138740
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-3-benzamidobutanoate
CID 27707248
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(propan-2-yloxymethyl)benzoate
CID 8985549
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176

Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yloxy)phosphorylmethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[di(propan-2-yloxy)phosphorylmethyl]-5-phenyl-1,3,4-oxadiazole (CID 176515717) is 2-[di(propan-2-yloxy)phosphorylmethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[di(propan-2-yloxy)phosphorylmethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[di(propan-2-yloxy)phosphorylmethyl]-5-phenyl-1,3,4-oxadiazole is CC(C)OP(=O)(Cc1nnc(-c2ccccc2)o1)OC(C)C.
What is the InChIKey of 2-[di(propan-2-yloxy)phosphorylmethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is AKNVOXKJJCMULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N2O4P/c1-11(2)20-22(18,21-12(3)4)10-14-16-17-15(19-14)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3.
What are the key properties of 2-[di(propan-2-yloxy)phosphorylmethyl]-5-phenyl-1,3,4-oxadiazole?
2-[di(propan-2-yloxy)phosphorylmethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 324.32 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yloxy)phosphorylmethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 176515717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).