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

C13H17N3O4S — CID 28755050

IUPACN-[3-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cccc(OCCN)c1
InChIInChI=1S/C13H17N3O4S/c1-9-13(10(2)20-15-9)21(17,18)16-11-4-3-5-12(8-11)19-7-6-14/h3-5,8,16H,6-7,14H2,1-2H3
InChIKeyIZHPNWCJYRFBDY-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.43
Rot. Bonds6

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

N-[3-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 28755050) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID28755050
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cccc(OCCN)c1
InChIInChI=1S/C13H17N3O4S/c1-9-13(10(2)20-15-9)21(17,18)16-11-4-3-5-12(8-11)19-7-6-14/h3-5,8,16H,6-7,14H2,1-2H3
InChIKeyIZHPNWCJYRFBDY-UHFFFAOYSA-N
XLogP1.43
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 47310519
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide
CID 28755028
N-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 106913000
N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 28755040
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide
CID 9330058
N-(6-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25047869
N-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide
CID 63120987
3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-1,2-oxazole-4-sulfonamide
CID 110732544
N-[3-(2-aminoethoxy)phenyl]cyclopropanesulfonamide
CID 64554905
3,5-dimethyl-N-(6-methylsulfanyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
CID 71878682
N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114787066

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 28755050) is N-[3-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1cccc(OCCN)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is IZHPNWCJYRFBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-9-13(10(2)20-15-9)21(17,18)16-11-4-3-5-12(8-11)19-7-6-14/h3-5,8,16H,6-7,14H2,1-2H3.
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[3-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 311.36 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 28755050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).