methyl 2-[5-methyl-2-[6-(4-methylsulfonylphenyl)-3-pyridinyl]-1,3-oxazol-4-yl]acetate

C19H18N2O5S — CID 58951478

IUPACmethyl 2-[5-methyl-2-[6-(4-methylsulfonylphenyl)-3-pyridinyl]-1,3-oxazol-4-yl]acetate
SMILESCOC(=O)Cc1nc(-c2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2)oc1C
InChIInChI=1S/C19H18N2O5S/c1-12-17(10-18(22)25-2)21-19(26-12)14-6-9-16(20-11-14)13-4-7-15(8-5-13)27(3,23)24/h4-9,11H,10H2,1-3H3
InChIKeyWARBFAOFIZPYJM-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.83
Rot. Bonds5

About methyl 2-[5-methyl-2-[6-(4-methylsulfonylphenyl)-3-pyridinyl]-1,3-oxazol-4-yl]acetate

methyl 2-[5-methyl-2-[6-(4-methylsulfonylphenyl)-3-pyridinyl]-1,3-oxazol-4-yl]acetate (PubChem CID 58951478) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is methyl 2-[5-methyl-2-[6-(4-methylsulfonylphenyl)-3-pyridinyl]-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-methyl-2-[6-(4-methylsulfonylphenyl)-3-pyridinyl]-1,3-oxazol-4-yl]acetate
PubChem CID58951478
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Namemethyl 2-[5-methyl-2-[6-(4-methylsulfonylphenyl)-3-pyridinyl]-1,3-oxazol-4-yl]acetate
SMILESCOC(=O)Cc1nc(-c2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2)oc1C
InChIInChI=1S/C19H18N2O5S/c1-12-17(10-18(22)25-2)21-19(26-12)14-6-9-16(20-11-14)13-4-7-15(8-5-13)27(3,23)24/h4-9,11H,10H2,1-3H3
InChIKeyWARBFAOFIZPYJM-UHFFFAOYSA-N
XLogP2.83
TPSA99.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-methyl-2-[6-(4-methylsulfonylphenyl)-3-pyridinyl]-1,3-oxazol-4-yl]acetate?
The IUPAC name of methyl 2-[5-methyl-2-[6-(4-methylsulfonylphenyl)-3-pyridinyl]-1,3-oxazol-4-yl]acetate (CID 58951478) is methyl 2-[5-methyl-2-[6-(4-methylsulfonylphenyl)-3-pyridinyl]-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[5-methyl-2-[6-(4-methylsulfonylphenyl)-3-pyridinyl]-1,3-oxazol-4-yl]acetate?
The canonical SMILES for methyl 2-[5-methyl-2-[6-(4-methylsulfonylphenyl)-3-pyridinyl]-1,3-oxazol-4-yl]acetate is COC(=O)Cc1nc(-c2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2)oc1C.
What is the InChIKey of methyl 2-[5-methyl-2-[6-(4-methylsulfonylphenyl)-3-pyridinyl]-1,3-oxazol-4-yl]acetate?
The InChIKey is WARBFAOFIZPYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-12-17(10-18(22)25-2)21-19(26-12)14-6-9-16(20-11-14)13-4-7-15(8-5-13)27(3,23)24/h4-9,11H,10H2,1-3H3.
What are the key properties of methyl 2-[5-methyl-2-[6-(4-methylsulfonylphenyl)-3-pyridinyl]-1,3-oxazol-4-yl]acetate?
methyl 2-[5-methyl-2-[6-(4-methylsulfonylphenyl)-3-pyridinyl]-1,3-oxazol-4-yl]acetate has a molecular weight of 386.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methyl-2-[6-(4-methylsulfonylphenyl)-3-pyridinyl]-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 58951478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).