N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phosphanylbenzamide

C21H16N3O2P — CID 170150882

IUPACN-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phosphanylbenzamide
SMILESO=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(P)cc1
InChIInChI=1S/C21H16N3O2P/c25-19(14-8-12-18(27)13-9-14)22-17-10-6-16(7-11-17)21-24-23-20(26-21)15-4-2-1-3-5-15/h1-13H,27H2,(H,22,25)
InChIKeyYSYVHSMVJTZPOW-UHFFFAOYSA-N
MW373.35 g/mol
LogP4.16
Rot. Bonds4

About N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phosphanylbenzamide

N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phosphanylbenzamide (PubChem CID 170150882) has the molecular formula C21H16N3O2P and a molecular weight of 373.35 g/mol. Its IUPAC name is N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phosphanylbenzamide.

Molecular Properties

Compound NameN-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phosphanylbenzamide
PubChem CID170150882
Molecular FormulaC21H16N3O2P
Molecular Weight373.35 g/mol
Exact Mass373.10
IUPAC NameN-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phosphanylbenzamide
SMILESO=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(P)cc1
InChIInChI=1S/C21H16N3O2P/c25-19(14-8-12-18(27)13-9-14)22-17-10-6-16(7-11-17)21-24-23-20(26-21)15-4-2-1-3-5-15/h1-13H,27H2,(H,22,25)
InChIKeyYSYVHSMVJTZPOW-UHFFFAOYSA-N
XLogP4.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24676924
4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45016585
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676925
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyridine-4-carboxamide
CID 163378766
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
CID 43038343
N-(4-acetylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46385460
2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 17171705
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methylsulfanylphenyl)benzamide
CID 24608389
N-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 30708165
N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55797169

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phosphanylbenzamide?
The IUPAC name of N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phosphanylbenzamide (CID 170150882) is N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phosphanylbenzamide.
What is the SMILES notation for N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phosphanylbenzamide?
The canonical SMILES for N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phosphanylbenzamide is O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(P)cc1.
What is the InChIKey of N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phosphanylbenzamide?
The InChIKey is YSYVHSMVJTZPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N3O2P/c25-19(14-8-12-18(27)13-9-14)22-17-10-6-16(7-11-17)21-24-23-20(26-21)15-4-2-1-3-5-15/h1-13H,27H2,(H,22,25).
What are the key properties of N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phosphanylbenzamide?
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phosphanylbenzamide has a molecular weight of 373.35 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phosphanylbenzamide is sourced from PubChem (CID 170150882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).