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

C15H18N4O4S — CID 7957428

IUPACN'-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide
SMILESO=C(CSc1nnc(C2CCCCC2)o1)NNC(=O)c1ccco1
InChIInChI=1S/C15H18N4O4S/c20-12(16-17-13(21)11-7-4-8-22-11)9-24-15-19-18-14(23-15)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,16,20)(H,17,21)
InChIKeyHOZNXTPGTIRCBO-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.26
Rot. Bonds5

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

N'-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide (PubChem CID 7957428) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is N'-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide
PubChem CID7957428
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC NameN'-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide
SMILESO=C(CSc1nnc(C2CCCCC2)o1)NNC(=O)c1ccco1
InChIInChI=1S/C15H18N4O4S/c20-12(16-17-13(21)11-7-4-8-22-11)9-24-15-19-18-14(23-15)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,16,20)(H,17,21)
InChIKeyHOZNXTPGTIRCBO-UHFFFAOYSA-N
XLogP2.26
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide with MolForge

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Related Compounds

N'-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide
CID 7816367
(3S)-N'-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7957374
N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide
CID 7682977
2-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
CID 62590738
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]furan-2-carbohydrazide
CID 7756427
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8510980
N-[[5-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
CID 7158763
N-(3-cyanothiophen-2-yl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7957420
2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methyl-6-nitrophenyl)acetamide
CID 7404958
N-(cyclohexylmethyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4782802
N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]furan-2-carbohydrazide
CID 9373294
N-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carboxamide
CID 17460426

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide (CID 7957428) is N'-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide is O=C(CSc1nnc(C2CCCCC2)o1)NNC(=O)c1ccco1.
What is the InChIKey of N'-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide?
The InChIKey is HOZNXTPGTIRCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c20-12(16-17-13(21)11-7-4-8-22-11)9-24-15-19-18-14(23-15)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,16,20)(H,17,21).
What are the key properties of N'-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide?
N'-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide has a molecular weight of 350.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 7957428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).