N'-[diethoxyphosphoryl(phenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetohydrazide

C20H24N5O5PS — CID 155537695

IUPACN'-[diethoxyphosphoryl(phenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetohydrazide
SMILESCCOP(=O)(OCC)C(NNC(=O)CSc1nnc(-c2ccncc2)o1)c1ccccc1
InChIInChI=1S/C20H24N5O5PS/c1-3-28-31(27,29-4-2)19(16-8-6-5-7-9-16)24-22-17(26)14-32-20-25-23-18(30-20)15-10-12-21-13-11-15/h5-13,19,24H,3-4,14H2,1-2H3,(H,22,26)
InChIKeyDAFNBWQXWQSQGM-UHFFFAOYSA-N
MW477.48 g/mol
LogP3.81
Rot. Bonds12

About N'-[diethoxyphosphoryl(phenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetohydrazide

N'-[diethoxyphosphoryl(phenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetohydrazide (PubChem CID 155537695) has the molecular formula C20H24N5O5PS and a molecular weight of 477.48 g/mol. Its IUPAC name is N'-[diethoxyphosphoryl(phenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetohydrazide.

Molecular Properties

Compound NameN'-[diethoxyphosphoryl(phenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetohydrazide
PubChem CID155537695
Molecular FormulaC20H24N5O5PS
Molecular Weight477.48 g/mol
Exact Mass477.12
IUPAC NameN'-[diethoxyphosphoryl(phenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetohydrazide
SMILESCCOP(=O)(OCC)C(NNC(=O)CSc1nnc(-c2ccncc2)o1)c1ccccc1
InChIInChI=1S/C20H24N5O5PS/c1-3-28-31(27,29-4-2)19(16-8-6-5-7-9-16)24-22-17(26)14-32-20-25-23-18(30-20)15-10-12-21-13-11-15/h5-13,19,24H,3-4,14H2,1-2H3,(H,22,26)
InChIKeyDAFNBWQXWQSQGM-UHFFFAOYSA-N
XLogP3.81
TPSA128.47 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N'-[diethoxyphosphoryl(phenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetohydrazide with MolForge

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Related Compounds

N'-[diethoxyphosphoryl-(4-nitrophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetohydrazide
CID 155566270
N-(2-methoxyethyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7658202
N-naphthalen-2-yl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4273230
N-(2-phenylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78762625
N-[(E)-1-phenylpropan-2-ylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 6290902
N-[(Z)-1-phenylpropan-2-ylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 6393108
N-(1-phenylbutyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78797858
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 1303061
N-(2-methyl-6-propan-2-ylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78762451
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 2192202
4-[[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid
CID 134066941
N-[(2-bromophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 20895016

Frequently Asked Questions

What is the IUPAC name of N'-[diethoxyphosphoryl(phenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetohydrazide?
The IUPAC name of N'-[diethoxyphosphoryl(phenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetohydrazide (CID 155537695) is N'-[diethoxyphosphoryl(phenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetohydrazide.
What is the SMILES notation for N'-[diethoxyphosphoryl(phenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetohydrazide?
The canonical SMILES for N'-[diethoxyphosphoryl(phenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetohydrazide is CCOP(=O)(OCC)C(NNC(=O)CSc1nnc(-c2ccncc2)o1)c1ccccc1.
What is the InChIKey of N'-[diethoxyphosphoryl(phenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetohydrazide?
The InChIKey is DAFNBWQXWQSQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N5O5PS/c1-3-28-31(27,29-4-2)19(16-8-6-5-7-9-16)24-22-17(26)14-32-20-25-23-18(30-20)15-10-12-21-13-11-15/h5-13,19,24H,3-4,14H2,1-2H3,(H,22,26).
What are the key properties of N'-[diethoxyphosphoryl(phenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetohydrazide?
N'-[diethoxyphosphoryl(phenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetohydrazide has a molecular weight of 477.48 g/mol, XLogP of 3.81, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[diethoxyphosphoryl(phenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetohydrazide is sourced from PubChem (CID 155537695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).