N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C12H17N3O4S — CID 95982538

IUPACN-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC[C@@H](O)c1cccn1C
InChIInChI=1S/C12H17N3O4S/c1-8-12(9(2)19-14-8)20(17,18)13-7-11(16)10-5-4-6-15(10)3/h4-6,11,13,16H,7H2,1-3H3/t11-/m1/s1
InChIKeyQEMYLDLXGCRPLV-LLVKDONJSA-N
MW299.35 g/mol
LogP0.64
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 95982538) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID95982538
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC NameN-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC[C@@H](O)c1cccn1C
InChIInChI=1S/C12H17N3O4S/c1-8-12(9(2)19-14-8)20(17,18)13-7-11(16)10-5-4-6-15(10)3/h4-6,11,13,16H,7H2,1-3H3/t11-/m1/s1
InChIKeyQEMYLDLXGCRPLV-LLVKDONJSA-N
XLogP0.64
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,2-oxazole-4-sulfonamide
CID 110730460
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43461531
3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-sulfonamide
CID 113317186
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 93157673
4-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 90496301
N-(3-ethyl-2-hydroxypentyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103835124
2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide
CID 95982562
N-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103835464
N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 55172754
3,5-dimethyl-N-[2-(2-oxo-1-pyridinyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 75512081
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 51710552
4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 71781621

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 95982538) is N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC[C@@H](O)c1cccn1C.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is QEMYLDLXGCRPLV-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-8-12(9(2)19-14-8)20(17,18)13-7-11(16)10-5-4-6-15(10)3/h4-6,11,13,16H,7H2,1-3H3/t11-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 299.35 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 95982538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).