3-pentan-3-yl-5-[(sulfamoylamino)methyl]-1,2-oxazole

C9H17N3O3S — CID 71997313

IUPAC3-pentan-3-yl-5-[(sulfamoylamino)methyl]-1,2-oxazole
SMILESCCC(CC)c1cc(CNS(N)(=O)=O)on1
InChIInChI=1S/C9H17N3O3S/c1-3-7(4-2)9-5-8(15-12-9)6-11-16(10,13)14/h5,7,11H,3-4,6H2,1-2H3,(H2,10,13,14)
InChIKeyIYYLYSNNLLWNEY-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.87
Rot. Bonds6

About 3-pentan-3-yl-5-[(sulfamoylamino)methyl]-1,2-oxazole

3-pentan-3-yl-5-[(sulfamoylamino)methyl]-1,2-oxazole (PubChem CID 71997313) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-pentan-3-yl-5-[(sulfamoylamino)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-pentan-3-yl-5-[(sulfamoylamino)methyl]-1,2-oxazole
PubChem CID71997313
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC Name3-pentan-3-yl-5-[(sulfamoylamino)methyl]-1,2-oxazole
SMILESCCC(CC)c1cc(CNS(N)(=O)=O)on1
InChIInChI=1S/C9H17N3O3S/c1-3-7(4-2)9-5-8(15-12-9)6-11-16(10,13)14/h5,7,11H,3-4,6H2,1-2H3,(H2,10,13,14)
InChIKeyIYYLYSNNLLWNEY-UHFFFAOYSA-N
XLogP0.87
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 71994479
2-amino-3-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]pentanamide;hydrochloride
CID 119804379
4-(aminomethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]benzamide
CID 119335443
1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 111474136
2-methyl-1-(2-methylsulfonylethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111675400
3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylcarbamoylamino]propanoic acid
CID 122003771
2-(3-pentan-3-yl-1,2-oxazol-5-yl)ethanol
CID 65017758
2-methyl-N-[2-[[N'-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111675459
5-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]pyrazine-2-carboxylic acid
CID 122054008
1-[2-(benzenesulfonamido)ethyl]-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111675225
3,4,5-trifluoro-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 71997561
N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pentan-3-amine
CID 115720213

Frequently Asked Questions

What is the IUPAC name of 3-pentan-3-yl-5-[(sulfamoylamino)methyl]-1,2-oxazole?
The IUPAC name of 3-pentan-3-yl-5-[(sulfamoylamino)methyl]-1,2-oxazole (CID 71997313) is 3-pentan-3-yl-5-[(sulfamoylamino)methyl]-1,2-oxazole.
What is the SMILES notation for 3-pentan-3-yl-5-[(sulfamoylamino)methyl]-1,2-oxazole?
The canonical SMILES for 3-pentan-3-yl-5-[(sulfamoylamino)methyl]-1,2-oxazole is CCC(CC)c1cc(CNS(N)(=O)=O)on1.
What is the InChIKey of 3-pentan-3-yl-5-[(sulfamoylamino)methyl]-1,2-oxazole?
The InChIKey is IYYLYSNNLLWNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-3-7(4-2)9-5-8(15-12-9)6-11-16(10,13)14/h5,7,11H,3-4,6H2,1-2H3,(H2,10,13,14).
What are the key properties of 3-pentan-3-yl-5-[(sulfamoylamino)methyl]-1,2-oxazole?
3-pentan-3-yl-5-[(sulfamoylamino)methyl]-1,2-oxazole has a molecular weight of 247.32 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-3-yl-5-[(sulfamoylamino)methyl]-1,2-oxazole is sourced from PubChem (CID 71997313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).