N'-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide

C16H13N5O4S — CID 135693225

IUPACN'-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide
SMILESO=C(CSc1nnc(-c2ccc(O)cc2)o1)NNC(=O)c1ccncc1
InChIInChI=1S/C16H13N5O4S/c22-12-3-1-11(2-4-12)15-20-21-16(25-15)26-9-13(23)18-19-14(24)10-5-7-17-8-6-10/h1-8,22H,9H2,(H,18,23)(H,19,24)
InChIKeyLGUOIERRHRFHEB-UHFFFAOYSA-N
MW371.38 g/mol
LogP1.39
Rot. Bonds5

About N'-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide

N'-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide (PubChem CID 135693225) has the molecular formula C16H13N5O4S and a molecular weight of 371.38 g/mol. Its IUPAC name is N'-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide
PubChem CID135693225
Molecular FormulaC16H13N5O4S
Molecular Weight371.38 g/mol
Exact Mass371.07
IUPAC NameN'-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide
SMILESO=C(CSc1nnc(-c2ccc(O)cc2)o1)NNC(=O)c1ccncc1
InChIInChI=1S/C16H13N5O4S/c22-12-3-1-11(2-4-12)15-20-21-16(25-15)26-9-13(23)18-19-14(24)10-5-7-17-8-6-10/h1-8,22H,9H2,(H,18,23)(H,19,24)
InChIKeyLGUOIERRHRFHEB-UHFFFAOYSA-N
XLogP1.39
TPSA130.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-{[4-(methyloxy)phenyl]carbonyl}-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetohydrazide
CID 1136149
3-[5-(4-Methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanylmethyl]-pyridine
CID 3186457
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 136224193
4-[5-[(5-Pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]phenol
CID 155554102
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 6262629
N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 73054184
2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl N-(pyridin-3-ylmethyl)carbamodithioate
CID 127028451
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetohydrazide
CID 135641852
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 136224192
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 136240101
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 136240268
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 136245071

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide (CID 135693225) is N'-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide is O=C(CSc1nnc(-c2ccc(O)cc2)o1)NNC(=O)c1ccncc1.
What is the InChIKey of N'-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide?
The InChIKey is LGUOIERRHRFHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O4S/c22-12-3-1-11(2-4-12)15-20-21-16(25-15)26-9-13(23)18-19-14(24)10-5-7-17-8-6-10/h1-8,22H,9H2,(H,18,23)(H,19,24).
What are the key properties of N'-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide?
N'-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide has a molecular weight of 371.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 135693225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).