4-[5-[difluoro(phosphanyl)methyl]-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide

C10H10F2N3O2P — CID 170195998

IUPAC4-[5-[difluoro(phosphanyl)methyl]-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide
SMILESNC(=O)c1ccc(C2=NC(C(F)(F)P)ON2)cc1
InChIInChI=1S/C10H10F2N3O2P/c11-10(12,18)9-14-8(15-17-9)6-3-1-5(2-4-6)7(13)16/h1-4,9H,18H2,(H2,13,16)(H,14,15)
InChIKeyPVYHOBFWESSKBV-UHFFFAOYSA-N
MW273.18 g/mol
LogP0.86
Rot. Bonds3

About 4-[5-[difluoro(phosphanyl)methyl]-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide

4-[5-[difluoro(phosphanyl)methyl]-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 170195998) has the molecular formula C10H10F2N3O2P and a molecular weight of 273.18 g/mol. Its IUPAC name is 4-[5-[difluoro(phosphanyl)methyl]-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[5-[difluoro(phosphanyl)methyl]-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID170195998
Molecular FormulaC10H10F2N3O2P
Molecular Weight273.18 g/mol
Exact Mass273.05
IUPAC Name4-[5-[difluoro(phosphanyl)methyl]-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide
SMILESNC(=O)c1ccc(C2=NC(C(F)(F)P)ON2)cc1
InChIInChI=1S/C10H10F2N3O2P/c11-10(12,18)9-14-8(15-17-9)6-3-1-5(2-4-6)7(13)16/h1-4,9H,18H2,(H2,13,16)(H,14,15)
InChIKeyPVYHOBFWESSKBV-UHFFFAOYSA-N
XLogP0.86
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[difluoro(phosphanyl)methyl]-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of 4-[5-[difluoro(phosphanyl)methyl]-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide (CID 170195998) is 4-[5-[difluoro(phosphanyl)methyl]-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 4-[5-[difluoro(phosphanyl)methyl]-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for 4-[5-[difluoro(phosphanyl)methyl]-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide is NC(=O)c1ccc(C2=NC(C(F)(F)P)ON2)cc1.
What is the InChIKey of 4-[5-[difluoro(phosphanyl)methyl]-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is PVYHOBFWESSKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N3O2P/c11-10(12,18)9-14-8(15-17-9)6-3-1-5(2-4-6)7(13)16/h1-4,9H,18H2,(H2,13,16)(H,14,15).
What are the key properties of 4-[5-[difluoro(phosphanyl)methyl]-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide?
4-[5-[difluoro(phosphanyl)methyl]-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 273.18 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[difluoro(phosphanyl)methyl]-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 170195998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).