4-methoxy-N'-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide

C17H15N5O4S — CID 1136149

IUPAC4-methoxy-N'-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CSc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C17H15N5O4S/c1-25-13-6-4-11(5-7-13)15(24)20-19-14(23)10-27-17-22-21-16(26-17)12-3-2-8-18-9-12/h2-9H,10H2,1H3,(H,19,23)(H,20,24)
InChIKeyMLPPHQIFLIWFNF-UHFFFAOYSA-N
MW385.41 g/mol
LogP1.69
Rot. Bonds6

About 4-methoxy-N'-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide

4-methoxy-N'-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide (PubChem CID 1136149) has the molecular formula C17H15N5O4S and a molecular weight of 385.41 g/mol. Its IUPAC name is 4-methoxy-N'-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
PubChem CID1136149
Molecular FormulaC17H15N5O4S
Molecular Weight385.41 g/mol
Exact Mass385.08
IUPAC Name4-methoxy-N'-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CSc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C17H15N5O4S/c1-25-13-6-4-11(5-7-13)15(24)20-19-14(23)10-27-17-22-21-16(26-17)12-3-2-8-18-9-12/h2-9H,10H2,1H3,(H,19,23)(H,20,24)
InChIKeyMLPPHQIFLIWFNF-UHFFFAOYSA-N
XLogP1.69
TPSA119.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-methoxy-N'-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide with MolForge

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Related Compounds

Methyl acrylate-divinylbenzene, completely hydrolyzed, copolymer
CID 1151711
5-[5-[(Phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-2-(2,2,2-trifluoroethoxy)pyridine
CID 2746462
N-(3-methoxyphenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 7559267
Isonicotinic acid N'-{2-[5-(4-hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetyl}-hydrazide
CID 135693225
2-[(4-Methoxyphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 76321807
3-[5-(3-Methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanylmethyl]-pyridine
CID 647696
(5-Pyridin-3-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid phenyl ester
CID 652002
3-[5-(4-Methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanylmethyl]-pyridine
CID 3186457
N-(2-ethoxyphenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 4519704
4-methoxy-N-[(pyridine-3-carbonylamino)carbamothioyl]benzamide
CID 1933027
1-[4-Methoxy-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]ethanone
CID 2399072
2-(4-Methoxyphenyl)-5-(3-pyridinyl)-1,3,4-oxadiazole
CID 865615

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide?
The IUPAC name of 4-methoxy-N'-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide (CID 1136149) is 4-methoxy-N'-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide.
What is the SMILES notation for 4-methoxy-N'-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide?
The canonical SMILES for 4-methoxy-N'-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide is COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3cccnc3)o2)cc1.
What is the InChIKey of 4-methoxy-N'-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide?
The InChIKey is MLPPHQIFLIWFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4S/c1-25-13-6-4-11(5-7-13)15(24)20-19-14(23)10-27-17-22-21-16(26-17)12-3-2-8-18-9-12/h2-9H,10H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 4-methoxy-N'-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide?
4-methoxy-N'-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide has a molecular weight of 385.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide is sourced from PubChem (CID 1136149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).