[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-(naphthalen-2-ylsulfonylamino)propanoate

C24H22N2O5S — CID 55542062

IUPAC[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESCc1ccc(-c2nc(COC(=O)CCNS(=O)(=O)c3ccc4ccccc4c3)co2)cc1
InChIInChI=1S/C24H22N2O5S/c1-17-6-8-19(9-7-17)24-26-21(16-31-24)15-30-23(27)12-13-25-32(28,29)22-11-10-18-4-2-3-5-20(18)14-22/h2-11,14,16,25H,12-13,15H2,1H3
InChIKeyMTCFUQUTWGWFAA-UHFFFAOYSA-N
MW450.52 g/mol
LogP4.22
Rot. Bonds8

About [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-(naphthalen-2-ylsulfonylamino)propanoate

[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-(naphthalen-2-ylsulfonylamino)propanoate (PubChem CID 55542062) has the molecular formula C24H22N2O5S and a molecular weight of 450.52 g/mol. Its IUPAC name is [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-(naphthalen-2-ylsulfonylamino)propanoate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
PubChem CID55542062
Molecular FormulaC24H22N2O5S
Molecular Weight450.52 g/mol
Exact Mass450.12
IUPAC Name[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESCc1ccc(-c2nc(COC(=O)CCNS(=O)(=O)c3ccc4ccccc4c3)co2)cc1
InChIInChI=1S/C24H22N2O5S/c1-17-6-8-19(9-7-17)24-26-21(16-31-24)15-30-23(27)12-13-25-32(28,29)22-11-10-18-4-2-3-5-20(18)14-22/h2-11,14,16,25H,12-13,15H2,1H3
InChIKeyMTCFUQUTWGWFAA-UHFFFAOYSA-N
XLogP4.22
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylphenyl)methyl 4-(naphthalen-2-ylsulfonylamino)butanoate
CID 7683582
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463
(4-methoxyphenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16577982
(2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16624451
(3-methylphenyl)methyl 4-(naphthalen-2-ylsulfonylamino)butanoate
CID 42981634
[2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7806952
cyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414466
2-(2,6-dimethylphenoxy)ethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16516055
(3-fluoro-4-methoxyphenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7806955
[(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414439
(3-oxobenzo[f]chromen-1-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602511
(2-phenyl-1,3-oxazol-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate
CID 55508930

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-(naphthalen-2-ylsulfonylamino)propanoate?
The IUPAC name of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-(naphthalen-2-ylsulfonylamino)propanoate (CID 55542062) is [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-(naphthalen-2-ylsulfonylamino)propanoate.
What is the SMILES notation for [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-(naphthalen-2-ylsulfonylamino)propanoate?
The canonical SMILES for [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-(naphthalen-2-ylsulfonylamino)propanoate is Cc1ccc(-c2nc(COC(=O)CCNS(=O)(=O)c3ccc4ccccc4c3)co2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-(naphthalen-2-ylsulfonylamino)propanoate?
The InChIKey is MTCFUQUTWGWFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5S/c1-17-6-8-19(9-7-17)24-26-21(16-31-24)15-30-23(27)12-13-25-32(28,29)22-11-10-18-4-2-3-5-20(18)14-22/h2-11,14,16,25H,12-13,15H2,1H3.
What are the key properties of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-(naphthalen-2-ylsulfonylamino)propanoate?
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-(naphthalen-2-ylsulfonylamino)propanoate has a molecular weight of 450.52 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-(naphthalen-2-ylsulfonylamino)propanoate is sourced from PubChem (CID 55542062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).