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

C21H23FN4O3S — CID 18159465

IUPACN'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]adamantane-1-carbohydrazide
SMILESO=C(CSc1nnc(-c2ccc(F)cc2)o1)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H23FN4O3S/c22-16-3-1-15(2-4-16)18-24-26-20(29-18)30-11-17(27)23-25-19(28)21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,12-14H,5-11H2,(H,23,27)(H,25,28)
InChIKeyCDZBROSDLXKZTI-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.33
Rot. Bonds5

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

N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]adamantane-1-carbohydrazide (PubChem CID 18159465) has the molecular formula C21H23FN4O3S and a molecular weight of 430.51 g/mol. Its IUPAC name is N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]adamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]adamantane-1-carbohydrazide
PubChem CID18159465
Molecular FormulaC21H23FN4O3S
Molecular Weight430.51 g/mol
Exact Mass430.15
IUPAC NameN'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]adamantane-1-carbohydrazide
SMILESO=C(CSc1nnc(-c2ccc(F)cc2)o1)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H23FN4O3S/c22-16-3-1-15(2-4-16)18-24-26-20(29-18)30-11-17(27)23-25-19(28)21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,12-14H,5-11H2,(H,23,27)(H,25,28)
InChIKeyCDZBROSDLXKZTI-UHFFFAOYSA-N
XLogP3.33
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 9401697
1-(1-adamantyl)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 7562680
1-(1-adamantyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 5238841
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 859932
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-4-ylacetamide
CID 5240924
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7907035
N-(cyclohexylcarbamoyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4804307
N-(1-adamantyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4823531
N-[4-(1-adamantyl)phenyl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 126739261
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodophenyl)acetamide
CID 5038347
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenothiazin-10-ylethanone
CID 1074038
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 859562

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]adamantane-1-carbohydrazide?
The IUPAC name of N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]adamantane-1-carbohydrazide (CID 18159465) is N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]adamantane-1-carbohydrazide.
What is the SMILES notation for N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]adamantane-1-carbohydrazide?
The canonical SMILES for N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]adamantane-1-carbohydrazide is O=C(CSc1nnc(-c2ccc(F)cc2)o1)NNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]adamantane-1-carbohydrazide?
The InChIKey is CDZBROSDLXKZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3S/c22-16-3-1-15(2-4-16)18-24-26-20(29-18)30-11-17(27)23-25-19(28)21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,12-14H,5-11H2,(H,23,27)(H,25,28).
What are the key properties of N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]adamantane-1-carbohydrazide?
N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]adamantane-1-carbohydrazide has a molecular weight of 430.51 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]adamantane-1-carbohydrazide is sourced from PubChem (CID 18159465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).