O-[2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]hydroxylamine

C9H10N4O2S — CID 139680379

IUPACO-[2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]hydroxylamine
SMILESNOCCSc1nnc(-c2ccccn2)o1
InChIInChI=1S/C9H10N4O2S/c10-14-5-6-16-9-13-12-8(15-9)7-3-1-2-4-11-7/h1-4H,5-6,10H2
InChIKeyWTQOEXWOCZMKKU-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.11
Rot. Bonds5

About O-[2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]hydroxylamine

O-[2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]hydroxylamine (PubChem CID 139680379) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is O-[2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]hydroxylamine
PubChem CID139680379
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC NameO-[2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]hydroxylamine
SMILESNOCCSc1nnc(-c2ccccn2)o1
InChIInChI=1S/C9H10N4O2S/c10-14-5-6-16-9-13-12-8(15-9)7-3-1-2-4-11-7/h1-4H,5-6,10H2
InChIKeyWTQOEXWOCZMKKU-UHFFFAOYSA-N
XLogP1.11
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid
CID 1467896
2-prop-2-ynylsulfanyl-5-pyridin-2-yl-1,3,4-oxadiazole
CID 3420918
1-morpholin-4-yl-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
CID 3955284
2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 3982393
2-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl carbamate
CID 3359596
N-(3-methylphenyl)-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 3976039
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3915967
2-(3a,7a-dihydro-1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 71068235
2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 30782857
1-(3,5-dimethylpiperidin-1-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 3917383
2-(4-methoxyphenyl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 42476331
2-[2-(4-methylphenoxy)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 23613653

Frequently Asked Questions

What is the IUPAC name of O-[2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]hydroxylamine (CID 139680379) is O-[2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]hydroxylamine is NOCCSc1nnc(-c2ccccn2)o1.
What is the InChIKey of O-[2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]hydroxylamine?
The InChIKey is WTQOEXWOCZMKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c10-14-5-6-16-9-13-12-8(15-9)7-3-1-2-4-11-7/h1-4H,5-6,10H2.
What are the key properties of O-[2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]hydroxylamine?
O-[2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]hydroxylamine has a molecular weight of 238.27 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]hydroxylamine is sourced from PubChem (CID 139680379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).