3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide

C14H18N2O4S — CID 94639946

IUPAC3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)COc1ccccc1
InChIInChI=1S/C14H18N2O4S/c1-10(9-19-13-7-5-4-6-8-13)16-21(17,18)14-11(2)15-20-12(14)3/h4-8,10,16H,9H2,1-3H3/t10-/m0/s1
InChIKeyWOLDESUMTUYRAQ-JTQLQIEISA-N
MW310.38 g/mol
LogP2.04
Rot. Bonds6

About 3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide (PubChem CID 94639946) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide
PubChem CID94639946
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)COc1ccccc1
InChIInChI=1S/C14H18N2O4S/c1-10(9-19-13-7-5-4-6-8-13)16-21(17,18)14-11(2)15-20-12(14)3/h4-8,10,16H,9H2,1-3H3/t10-/m0/s1
InChIKeyWOLDESUMTUYRAQ-JTQLQIEISA-N
XLogP2.04
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 79027700
N-[(2R)-1-aminopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 104873362
3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide
CID 71902435
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenoxypropan-2-amine
CID 50960435
N-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide
CID 94192811
3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 92786137
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-phenylacetamide
CID 75459963
3,5-dimethyl-N-(2-methylsulfonyl-1-phenylethyl)-1,2-oxazole-4-sulfonamide
CID 71911988
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 74229543
3,5-dimethyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 94162195
N-[1-[2-(dimethylamino)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 126827659
3,5-dimethyl-N-(1-pyridin-4-ylethyl)-1,2-oxazole-4-sulfonamide
CID 45366402

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide (CID 94639946) is 3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N[C@@H](C)COc1ccccc1.
What is the InChIKey of 3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide?
The InChIKey is WOLDESUMTUYRAQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-10(9-19-13-7-5-4-6-8-13)16-21(17,18)14-11(2)15-20-12(14)3/h4-8,10,16H,9H2,1-3H3/t10-/m0/s1.
What are the key properties of 3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 94639946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).