2-tert-butyl-N-[2-[(2R,3R)-3-methyloxolan-2-yl]ethyl]-1,3-oxazole-5-sulfonamide

C14H24N2O4S — CID 166308830

IUPAC2-tert-butyl-N-[2-[(2R,3R)-3-methyloxolan-2-yl]ethyl]-1,3-oxazole-5-sulfonamide
SMILESC[C@@H]1CCO[C@@H]1CCNS(=O)(=O)c1cnc(C(C)(C)C)o1
InChIInChI=1S/C14H24N2O4S/c1-10-6-8-19-11(10)5-7-16-21(17,18)12-9-15-13(20-12)14(2,3)4/h9-11,16H,5-8H2,1-4H3/t10-,11-/m1/s1
InChIKeyDYALQYZTWBGTNT-GHMZBOCLSA-N
MW316.42 g/mol
LogP2.07
Rot. Bonds5

About 2-tert-butyl-N-[2-[(2R,3R)-3-methyloxolan-2-yl]ethyl]-1,3-oxazole-5-sulfonamide

2-tert-butyl-N-[2-[(2R,3R)-3-methyloxolan-2-yl]ethyl]-1,3-oxazole-5-sulfonamide (PubChem CID 166308830) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-[(2R,3R)-3-methyloxolan-2-yl]ethyl]-1,3-oxazole-5-sulfonamide.

Molecular Properties

Compound Name2-tert-butyl-N-[2-[(2R,3R)-3-methyloxolan-2-yl]ethyl]-1,3-oxazole-5-sulfonamide
PubChem CID166308830
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name2-tert-butyl-N-[2-[(2R,3R)-3-methyloxolan-2-yl]ethyl]-1,3-oxazole-5-sulfonamide
SMILESC[C@@H]1CCO[C@@H]1CCNS(=O)(=O)c1cnc(C(C)(C)C)o1
InChIInChI=1S/C14H24N2O4S/c1-10-6-8-19-11(10)5-7-16-21(17,18)12-9-15-13(20-12)14(2,3)4/h9-11,16H,5-8H2,1-4H3/t10-,11-/m1/s1
InChIKeyDYALQYZTWBGTNT-GHMZBOCLSA-N
XLogP2.07
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-N-[2-[(2R,3R)-3-methyloxolan-2-yl]ethyl]-1,3-oxazole-5-sulfonamide with MolForge

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Related Compounds

2-tert-butyl-N-(1,4-dioxepan-6-yl)-1,3-oxazole-5-sulfonamide
CID 166308541
2-tert-butyl-N-(1,2-diazaspiro[2.3]hex-1-en-5-yl)-1,3-oxazole-5-sulfonamide
CID 166308862
2-[(2R,3R)-3-methyloxolan-2-yl]ethanol
CID 134950887
N-[2-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 171675219
(3-methyloxolan-2-yl)methanesulfonyl chloride
CID 112639744
tert-butyl-dimethyl-[[(2R,3R)-3-methyloxolan-2-yl]methoxy]silane
CID 102031042
N-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54932976
N-(2-methyloxolan-3-yl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 82735971
5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide
CID 114516893
4-hydrazinyl-N-[2-(oxolan-3-yl)ethyl]pyridine-3-sulfonamide
CID 114130695
5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide
CID 63473639
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 126799770

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-[(2R,3R)-3-methyloxolan-2-yl]ethyl]-1,3-oxazole-5-sulfonamide?
The IUPAC name of 2-tert-butyl-N-[2-[(2R,3R)-3-methyloxolan-2-yl]ethyl]-1,3-oxazole-5-sulfonamide (CID 166308830) is 2-tert-butyl-N-[2-[(2R,3R)-3-methyloxolan-2-yl]ethyl]-1,3-oxazole-5-sulfonamide.
What is the SMILES notation for 2-tert-butyl-N-[2-[(2R,3R)-3-methyloxolan-2-yl]ethyl]-1,3-oxazole-5-sulfonamide?
The canonical SMILES for 2-tert-butyl-N-[2-[(2R,3R)-3-methyloxolan-2-yl]ethyl]-1,3-oxazole-5-sulfonamide is C[C@@H]1CCO[C@@H]1CCNS(=O)(=O)c1cnc(C(C)(C)C)o1.
What is the InChIKey of 2-tert-butyl-N-[2-[(2R,3R)-3-methyloxolan-2-yl]ethyl]-1,3-oxazole-5-sulfonamide?
The InChIKey is DYALQYZTWBGTNT-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-10-6-8-19-11(10)5-7-16-21(17,18)12-9-15-13(20-12)14(2,3)4/h9-11,16H,5-8H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of 2-tert-butyl-N-[2-[(2R,3R)-3-methyloxolan-2-yl]ethyl]-1,3-oxazole-5-sulfonamide?
2-tert-butyl-N-[2-[(2R,3R)-3-methyloxolan-2-yl]ethyl]-1,3-oxazole-5-sulfonamide has a molecular weight of 316.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-[(2R,3R)-3-methyloxolan-2-yl]ethyl]-1,3-oxazole-5-sulfonamide is sourced from PubChem (CID 166308830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).