2-[(5S,7S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-adamantyl]acetohydrazide

C17H25N3O2 — CID 98138159

IUPAC2-[(5S,7S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-adamantyl]acetohydrazide
SMILESCc1noc(C)c1C12C[C@H]3C[C@@H](CC(CC(=O)NN)(C3)C1)C2
InChIInChI=1S/C17H25N3O2/c1-10-15(11(2)22-20-10)17-6-12-3-13(7-17)5-16(4-12,9-17)8-14(21)19-18/h12-13H,3-9,18H2,1-2H3,(H,19,21)/t12-,13-,16?,17?/m0/s1
InChIKeyKKRYKLXMGPICTO-SCQRFTTHSA-N
MW303.41 g/mol
LogP2.51
Rot. Bonds3

About 2-[(5S,7S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-adamantyl]acetohydrazide

2-[(5S,7S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-adamantyl]acetohydrazide (PubChem CID 98138159) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[(5S,7S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-adamantyl]acetohydrazide.

Molecular Properties

Compound Name2-[(5S,7S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-adamantyl]acetohydrazide
PubChem CID98138159
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[(5S,7S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-adamantyl]acetohydrazide
SMILESCc1noc(C)c1C12C[C@H]3C[C@@H](CC(CC(=O)NN)(C3)C1)C2
InChIInChI=1S/C17H25N3O2/c1-10-15(11(2)22-20-10)17-6-12-3-13(7-17)5-16(4-12,9-17)8-14(21)19-18/h12-13H,3-9,18H2,1-2H3,(H,19,21)/t12-,13-,16?,17?/m0/s1
InChIKeyKKRYKLXMGPICTO-SCQRFTTHSA-N
XLogP2.51
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-adamantyl]acetohydrazide
CID 4093430
N-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide
CID 98145472
2-(1-adamantyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2874506
2-[(5S,7S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]-N-[(2S)-2-morpholin-4-ylpropyl]acetamide
CID 124807153
N-[4-(1-adamantyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 4837830
2-[(5S,7S)-3-(tetrazol-2-yl)-1-adamantyl]acetohydrazide
CID 98138161
N-(1-adamantylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 17476150
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 17421165
3-(3,5-dimethyl-1,2-oxazol-4-yl)bicyclo[3.1.0]hexan-3-amine
CID 82402619
N'-[2-(1-adamantyl)acetyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 26177283
2-[(5R,7S)-3-(4-chlorophenyl)-1-adamantyl]-N-hydroxyacetamide
CID 71524756
N-[1-(1-adamantyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18166258

Frequently Asked Questions

What is the IUPAC name of 2-[(5S,7S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-adamantyl]acetohydrazide?
The IUPAC name of 2-[(5S,7S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-adamantyl]acetohydrazide (CID 98138159) is 2-[(5S,7S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-adamantyl]acetohydrazide.
What is the SMILES notation for 2-[(5S,7S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-adamantyl]acetohydrazide?
The canonical SMILES for 2-[(5S,7S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-adamantyl]acetohydrazide is Cc1noc(C)c1C12C[C@H]3C[C@@H](CC(CC(=O)NN)(C3)C1)C2.
What is the InChIKey of 2-[(5S,7S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-adamantyl]acetohydrazide?
The InChIKey is KKRYKLXMGPICTO-SCQRFTTHSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-10-15(11(2)22-20-10)17-6-12-3-13(7-17)5-16(4-12,9-17)8-14(21)19-18/h12-13H,3-9,18H2,1-2H3,(H,19,21)/t12-,13-,16?,17?/m0/s1.
What are the key properties of 2-[(5S,7S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-adamantyl]acetohydrazide?
2-[(5S,7S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-adamantyl]acetohydrazide has a molecular weight of 303.41 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S,7S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-adamantyl]acetohydrazide is sourced from PubChem (CID 98138159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).