N-[4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]ethyl]phenyl]methanesulfonamide

C16H23N3O3S — CID 91644789

IUPACN-[4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]ethyl]phenyl]methanesulfonamide
SMILESCc1noc(C)c1CCNC(C)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C16H23N3O3S/c1-11(17-10-9-16-12(2)18-22-13(16)3)14-5-7-15(8-6-14)19-23(4,20)21/h5-8,11,17,19H,9-10H2,1-4H3
InChIKeyNVTJJBVFLUBCPN-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.56
Rot. Bonds7

About N-[4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]ethyl]phenyl]methanesulfonamide

N-[4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]ethyl]phenyl]methanesulfonamide (PubChem CID 91644789) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]ethyl]phenyl]methanesulfonamide
PubChem CID91644789
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-[4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]ethyl]phenyl]methanesulfonamide
SMILESCc1noc(C)c1CCNC(C)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C16H23N3O3S/c1-11(17-10-9-16-12(2)18-22-13(16)3)14-5-7-15(8-6-14)19-23(4,20)21/h5-8,11,17,19H,9-10H2,1-4H3
InChIKeyNVTJJBVFLUBCPN-UHFFFAOYSA-N
XLogP2.56
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]ethyl]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide
CID 110646318
5-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]ethyl]-2-fluorophenol
CID 146144866
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43223377
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine
CID 115718218
N-[3-[(1S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]ethyl]phenyl]methanesulfonamide
CID 99576730
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 75428017
N-[4-[1-[[(E)-3-phenylprop-2-enyl]amino]ethyl]phenyl]methanesulfonamide
CID 56823426
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methoxybutan-2-amine
CID 115688369
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine
CID 75443598
(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine
CID 97334733
3-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenylpropanamide
CID 119951357
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 40713174

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]ethyl]phenyl]methanesulfonamide (CID 91644789) is N-[4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]ethyl]phenyl]methanesulfonamide is Cc1noc(C)c1CCNC(C)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]ethyl]phenyl]methanesulfonamide?
The InChIKey is NVTJJBVFLUBCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-11(17-10-9-16-12(2)18-22-13(16)3)14-5-7-15(8-6-14)19-23(4,20)21/h5-8,11,17,19H,9-10H2,1-4H3.
What are the key properties of N-[4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]ethyl]phenyl]methanesulfonamide?
N-[4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]ethyl]phenyl]methanesulfonamide has a molecular weight of 337.45 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 91644789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).