N-(3-tert-butyl-1,2-oxazol-5-yl)-1-chloromethanesulfonamide

C8H13ClN2O3S — CID 63665551

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-1-chloromethanesulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)CCl)on1
InChIInChI=1S/C8H13ClN2O3S/c1-8(2,3)6-4-7(14-10-6)11-15(12,13)5-9/h4,11H,5H2,1-3H3
InChIKeyMRLAAIFQKUCRAB-UHFFFAOYSA-N
MW252.72 g/mol
LogP1.91
Rot. Bonds3

About N-(3-tert-butyl-1,2-oxazol-5-yl)-1-chloromethanesulfonamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-1-chloromethanesulfonamide (PubChem CID 63665551) has the molecular formula C8H13ClN2O3S and a molecular weight of 252.72 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-1-chloromethanesulfonamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-1-chloromethanesulfonamide
PubChem CID63665551
Molecular FormulaC8H13ClN2O3S
Molecular Weight252.72 g/mol
Exact Mass252.03
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-1-chloromethanesulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)CCl)on1
InChIInChI=1S/C8H13ClN2O3S/c1-8(2,3)6-4-7(14-10-6)11-15(12,13)5-9/h4,11H,5H2,1-3H3
InChIKeyMRLAAIFQKUCRAB-UHFFFAOYSA-N
XLogP1.91
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
2,2,2-trichloroethyl N-(3-tert-butyl-1,2-oxazol-5-yl)carbamate
CID 66728713
ethyl 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfamoyl]benzoate
CID 2121635
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonylacetamide
CID 51248804
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide
CID 59420457
N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide
CID 155823225
(2S,4S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide
CID 67953890
2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81223074
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(2,4-dimethylphenyl)urea
CID 143051913
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea
CID 59380959
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 7630749
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 17437229

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-1-chloromethanesulfonamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-1-chloromethanesulfonamide (CID 63665551) is N-(3-tert-butyl-1,2-oxazol-5-yl)-1-chloromethanesulfonamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-1-chloromethanesulfonamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-1-chloromethanesulfonamide is CC(C)(C)c1cc(NS(=O)(=O)CCl)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-1-chloromethanesulfonamide?
The InChIKey is MRLAAIFQKUCRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O3S/c1-8(2,3)6-4-7(14-10-6)11-15(12,13)5-9/h4,11H,5H2,1-3H3.
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-1-chloromethanesulfonamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-1-chloromethanesulfonamide has a molecular weight of 252.72 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-1-chloromethanesulfonamide is sourced from PubChem (CID 63665551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).