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

C13H17N3O4S — CID 28754844

IUPACN-[4-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(OCCN)cc1
InChIInChI=1S/C13H17N3O4S/c1-9-13(10(2)20-15-9)21(17,18)16-11-3-5-12(6-4-11)19-8-7-14/h3-6,16H,7-8,14H2,1-2H3
InChIKeyOZKQPJWNMLOMIT-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.43
Rot. Bonds6

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

N-[4-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 28754844) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID28754844
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC NameN-[4-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(OCCN)cc1
InChIInChI=1S/C13H17N3O4S/c1-9-13(10(2)20-15-9)21(17,18)16-11-3-5-12(6-4-11)19-8-7-14/h3-6,16H,7-8,14H2,1-2H3
InChIKeyOZKQPJWNMLOMIT-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[4-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 28754844) is N-[4-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[4-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[4-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc(OCCN)cc1.
What is the InChIKey of N-[4-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is OZKQPJWNMLOMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-9-13(10(2)20-15-9)21(17,18)16-11-3-5-12(6-4-11)19-8-7-14/h3-6,16H,7-8,14H2,1-2H3.
What are the key properties of N-[4-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[4-(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-[4-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 28754844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).