4,5-dimethyl-3-(sulfinoamino)-1,2-oxazole

C5H8N2O3S — CID 23442814

IUPAC4,5-dimethyl-3-(sulfinoamino)-1,2-oxazole
SMILESCc1onc(NS(=O)O)c1C
InChIInChI=1S/C5H8N2O3S/c1-3-4(2)10-6-5(3)7-11(8)9/h1-2H3,(H,6,7)(H,8,9)
InChIKeyNARBFKGKYHQXMD-UHFFFAOYSA-N
MW176.20 g/mol
LogP0.84
Rot. Bonds2

About 4,5-dimethyl-3-(sulfinoamino)-1,2-oxazole

4,5-dimethyl-3-(sulfinoamino)-1,2-oxazole (PubChem CID 23442814) has the molecular formula C5H8N2O3S and a molecular weight of 176.20 g/mol. Its IUPAC name is 4,5-dimethyl-3-(sulfinoamino)-1,2-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-3-(sulfinoamino)-1,2-oxazole
PubChem CID23442814
Molecular FormulaC5H8N2O3S
Molecular Weight176.20 g/mol
Exact Mass176.03
IUPAC Name4,5-dimethyl-3-(sulfinoamino)-1,2-oxazole
SMILESCc1onc(NS(=O)O)c1C
InChIInChI=1S/C5H8N2O3S/c1-3-4(2)10-6-5(3)7-11(8)9/h1-2H3,(H,6,7)(H,8,9)
InChIKeyNARBFKGKYHQXMD-UHFFFAOYSA-N
XLogP0.84
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

N-(4,5-dimethyl-1,2-oxazol-3-yl)butanamide
CID 170582724
N-bis(2,3,4,5,6-pentamethylphenyl)phosphoryl-4,5-dimethyl-1,2-oxazol-3-amine
CID 18739838
[(3,4-dimethyl-1,2-oxazol-5-yl)amino] methanesulfinate;[(4,5-dimethyl-1,2-oxazol-3-yl)amino] methanesulfinate;methane;molecular iodine
CID 161478092
3,4,5-trimethyl-1,2-oxazole
CID 25375
4,5-dimethyl-1,2-oxazole-3-carboxylic acid
CID 7018552
2-(3-chlorophenyl)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-methylpropanamide
CID 167921792
N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138046221
4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 7018551
(4,5-dimethyl-1,2-oxazol-3-yl) N-methylcarbamate
CID 122163638
N-tert-butyl-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110855367
bis(1,1'-biphenyl);[(3,4-dimethyl-1,2-oxazol-5-yl)amino] methanesulfinate;[(4,5-dimethyl-1,2-oxazol-3-yl)amino] methanesulfinate;ethane;methane
CID 161399293
3-chloro-4,5-dimethyl-1,2-oxazole
CID 12746085

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(sulfinoamino)-1,2-oxazole?
The IUPAC name of 4,5-dimethyl-3-(sulfinoamino)-1,2-oxazole (CID 23442814) is 4,5-dimethyl-3-(sulfinoamino)-1,2-oxazole.
What is the SMILES notation for 4,5-dimethyl-3-(sulfinoamino)-1,2-oxazole?
The canonical SMILES for 4,5-dimethyl-3-(sulfinoamino)-1,2-oxazole is Cc1onc(NS(=O)O)c1C.
What is the InChIKey of 4,5-dimethyl-3-(sulfinoamino)-1,2-oxazole?
The InChIKey is NARBFKGKYHQXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3S/c1-3-4(2)10-6-5(3)7-11(8)9/h1-2H3,(H,6,7)(H,8,9).
What are the key properties of 4,5-dimethyl-3-(sulfinoamino)-1,2-oxazole?
4,5-dimethyl-3-(sulfinoamino)-1,2-oxazole has a molecular weight of 176.20 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-(sulfinoamino)-1,2-oxazole is sourced from PubChem (CID 23442814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).