N-[1-[2-(dimethylamino)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C15H21N3O3S — CID 126827659

IUPACN-[1-[2-(dimethylamino)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(C)c1ccccc1N(C)C
InChIInChI=1S/C15H21N3O3S/c1-10(13-8-6-7-9-14(13)18(4)5)17-22(19,20)15-11(2)16-21-12(15)3/h6-10,17H,1-5H3
InChIKeyJZEXFAVBHOHFCH-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.40
Rot. Bonds5

About N-[1-[2-(dimethylamino)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[1-[2-(dimethylamino)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 126827659) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID126827659
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-[1-[2-(dimethylamino)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(C)c1ccccc1N(C)C
InChIInChI=1S/C15H21N3O3S/c1-10(13-8-6-7-9-14(13)18(4)5)17-22(19,20)15-11(2)16-21-12(15)3/h6-10,17H,1-5H3
InChIKeyJZEXFAVBHOHFCH-UHFFFAOYSA-N
XLogP2.40
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-(1-pyridin-4-ylethyl)-1,2-oxazole-4-sulfonamide
CID 45366402
3,5-dimethyl-N-[(1R)-1-(2-methylphenyl)propyl]-1,2-oxazole-4-sulfonamide
CID 100766932
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 74229543
3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 94639946
3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide
CID 71902435
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-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 103885361
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 93157673
3,5-dimethyl-N-(2-methylsulfonyl-1-phenylethyl)-1,2-oxazole-4-sulfonamide
CID 71911988
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-phenylacetamide
CID 75459963
N-but-3-yn-2-yl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114419106

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[1-[2-(dimethylamino)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 126827659) is N-[1-[2-(dimethylamino)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[1-[2-(dimethylamino)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC(C)c1ccccc1N(C)C.
What is the InChIKey of N-[1-[2-(dimethylamino)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is JZEXFAVBHOHFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-10(13-8-6-7-9-14(13)18(4)5)17-22(19,20)15-11(2)16-21-12(15)3/h6-10,17H,1-5H3.
What are the key properties of N-[1-[2-(dimethylamino)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[1-[2-(dimethylamino)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 126827659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).