ethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate

C11H18N2O5S — CID 113377340

IUPACethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NCC(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C11H18N2O5S/c1-5-17-9(14)8-6-18-10(13-8)12-7-11(2,3)19(4,15)16/h6H,5,7H2,1-4H3,(H,12,13)
InChIKeyRPBSEJGSSAUDDC-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.09
Rot. Bonds6

About ethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate

ethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate (PubChem CID 113377340) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is ethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate
PubChem CID113377340
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Nameethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NCC(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C11H18N2O5S/c1-5-17-9(14)8-6-18-10(13-8)12-7-11(2,3)19(4,15)16/h6H,5,7H2,1-4H3,(H,12,13)
InChIKeyRPBSEJGSSAUDDC-UHFFFAOYSA-N
XLogP1.09
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-4-carboxylate
CID 53404549
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate
CID 114008821
ethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate
CID 104828592
ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate
CID 106189842
ethyl 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-1,3-oxazole-4-carboxylate
CID 107153189
ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate
CID 84563734
ethyl 2-methylsulfonyl-1,3-oxazole-4-carboxylate
CID 151928550
ethyl 2-(3-methylsulfinylbutylamino)-1,3-oxazole-4-carboxylate
CID 113490540
ethyl 2-[(3-chloro-4-methylsulfonylphenyl)methylamino]-1,3-oxazole-4-carboxylate
CID 146092575
ethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate
CID 113377237
ethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate
CID 113377062
ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate
CID 113377091

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate (CID 113377340) is ethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(NCC(C)(C)S(C)(=O)=O)n1.
What is the InChIKey of ethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate?
The InChIKey is RPBSEJGSSAUDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-5-17-9(14)8-6-18-10(13-8)12-7-11(2,3)19(4,15)16/h6H,5,7H2,1-4H3,(H,12,13).
What are the key properties of ethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate?
ethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate has a molecular weight of 290.34 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 113377340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).