N-(2-aminoethyl)-4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide

C19H22N4O3S — CID 10194069

IUPACN-(2-aminoethyl)-4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide
SMILESCN(C)c1ccc(-c2cnc(-c3ccc(S(=O)(=O)NCCN)cc3)o2)cc1
InChIInChI=1S/C19H22N4O3S/c1-23(2)16-7-3-14(4-8-16)18-13-21-19(26-18)15-5-9-17(10-6-15)27(24,25)22-12-11-20/h3-10,13,22H,11-12,20H2,1-2H3
InChIKeyMYLMURYPGCSIQM-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.31
Rot. Bonds7

About N-(2-aminoethyl)-4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide

N-(2-aminoethyl)-4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide (PubChem CID 10194069) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide
PubChem CID10194069
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-(2-aminoethyl)-4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide
SMILESCN(C)c1ccc(-c2cnc(-c3ccc(S(=O)(=O)NCCN)cc3)o2)cc1
InChIInChI=1S/C19H22N4O3S/c1-23(2)16-7-3-14(4-8-16)18-13-21-19(26-18)15-5-9-17(10-6-15)27(24,25)22-12-11-20/h3-10,13,22H,11-12,20H2,1-2H3
InChIKeyMYLMURYPGCSIQM-UHFFFAOYSA-N
XLogP2.31
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 10114217
N-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258829
N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-3-[[4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]phenyl]sulfonylamino]propanamide
CID 66871362
N-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258693
N,N-dimethyl-4-(2-pyridin-3-yl-1,3-oxazol-5-yl)aniline
CID 171976930
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258799
N-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258675
N-[[(1S)-1-[(1R)-1-chloroethyl]-5-hydroxy-2,3-dihydro-1H-benzo[e]indol-7-yl]methyl]-3-[[4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]phenyl]sulfonylamino]propanamide
CID 52914374
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide
CID 16890478
2-bromo-N-[[4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]phenyl]sulfamoyl]-N-ethylacetamide
CID 23653677
N-(2-methoxyethyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958826
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide (CID 10194069) is N-(2-aminoethyl)-4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide is CN(C)c1ccc(-c2cnc(-c3ccc(S(=O)(=O)NCCN)cc3)o2)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide?
The InChIKey is MYLMURYPGCSIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-23(2)16-7-3-14(4-8-16)18-13-21-19(26-18)15-5-9-17(10-6-15)27(24,25)22-12-11-20/h3-10,13,22H,11-12,20H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide?
N-(2-aminoethyl)-4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide has a molecular weight of 386.48 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 10194069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).