N'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide

C10H17N3O2S — CID 106922726

IUPACN'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide
SMILESCc1coc(SCCC(C)(C)C(N)=NO)n1
InChIInChI=1S/C10H17N3O2S/c1-7-6-15-9(12-7)16-5-4-10(2,3)8(11)13-14/h6,14H,4-5H2,1-3H3,(H2,11,13)
InChIKeyKZBMJHAIHXNKKV-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.24
Rot. Bonds5

About N'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide

N'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide (PubChem CID 106922726) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide
PubChem CID106922726
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide
SMILESCc1coc(SCCC(C)(C)C(N)=NO)n1
InChIInChI=1S/C10H17N3O2S/c1-7-6-15-9(12-7)16-5-4-10(2,3)8(11)13-14/h6,14H,4-5H2,1-3H3,(H2,11,13)
InChIKeyKZBMJHAIHXNKKV-UHFFFAOYSA-N
XLogP2.24
TPSA84.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanimidamide
CID 77062397
N'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanimidamide
CID 77062438
N'-hydroxy-2,2-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexanimidamide
CID 106712726
N'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide
CID 77062476
N'-hydroxy-2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]hexanimidamide
CID 106712696
2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)hexanamide
CID 106925151
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-ol
CID 106923608
4-tert-butylsulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062368
2-(2-azidoethylsulfanyl)-4-methyl-1,3-oxazole
CID 106924308
3,3-dimethyl-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106927786
ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106920837
2-amino-2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid
CID 106925128

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide (CID 106922726) is N'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide is Cc1coc(SCCC(C)(C)C(N)=NO)n1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide?
The InChIKey is KZBMJHAIHXNKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7-6-15-9(12-7)16-5-4-10(2,3)8(11)13-14/h6,14H,4-5H2,1-3H3,(H2,11,13).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide?
N'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide has a molecular weight of 243.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide is sourced from PubChem (CID 106922726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).