3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide

C16H21N3O4S — CID 113147322

IUPAC3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCN(c2cc(C)on2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H21N3O4S/c1-12-4-6-14(7-5-12)11-17-16(20)8-9-19(24(3,21)22)15-10-13(2)23-18-15/h4-7,10H,8-9,11H2,1-3H3,(H,17,20)
InChIKeyQURVWFQDUAJTKI-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.76
Rot. Bonds7

About 3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide

3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 113147322) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID113147322
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCN(c2cc(C)on2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H21N3O4S/c1-12-4-6-14(7-5-12)11-17-16(20)8-9-19(24(3,21)22)15-10-13(2)23-18-15/h4-7,10H,8-9,11H2,1-3H3,(H,17,20)
InChIKeyQURVWFQDUAJTKI-UHFFFAOYSA-N
XLogP1.76
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147451
N-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147313
N-(3-methylbutyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147361
N-[2-(3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147341
3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113141907
N-(2-tert-butylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147391
N-(2-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147393
3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113147417
3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113145404
N-(5-chloro-2-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147399
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide
CID 113135674
N-(5-methyl-1,2-oxazol-3-yl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113147314

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide (CID 113147322) is 3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCN(c2cc(C)on2)S(C)(=O)=O)cc1.
What is the InChIKey of 3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is QURVWFQDUAJTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-12-4-6-14(7-5-12)11-17-16(20)8-9-19(24(3,21)22)15-10-13(2)23-18-15/h4-7,10H,8-9,11H2,1-3H3,(H,17,20).
What are the key properties of 3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 351.43 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113147322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).