ethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate

C12H20N2O3 — CID 104828592

IUPACethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NC(C)C(C)(C)C)n1
InChIInChI=1S/C12H20N2O3/c1-6-16-10(15)9-7-17-11(14-9)13-8(2)12(3,4)5/h7-8H,6H2,1-5H3,(H,13,14)
InChIKeyLVORXBCVYOEROQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.70
Rot. Bonds4

About ethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate

ethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate (PubChem CID 104828592) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is ethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate
PubChem CID104828592
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nameethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NC(C)C(C)(C)C)n1
InChIInChI=1S/C12H20N2O3/c1-6-16-10(15)9-7-17-11(14-9)13-8(2)12(3,4)5/h7-8H,6H2,1-5H3,(H,13,14)
InChIKeyLVORXBCVYOEROQ-UHFFFAOYSA-N
XLogP2.70
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[1-(furan-2-yl)ethylamino]-1,3-oxazole-4-carboxylate
CID 113377130
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate
CID 114008821
ethyl 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1,3-oxazole-4-carboxylate
CID 104530110
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-4-carboxylate
CID 53404549
ethyl 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-1,3-oxazole-4-carboxylate
CID 107153189
ethyl 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-oxazole-4-carboxylate
CID 106282826
ethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate
CID 113377340
ethyl 2-(3-methylsulfinylbutylamino)-1,3-oxazole-4-carboxylate
CID 113490540
ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate
CID 106189842
ethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate
CID 113377062
ethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate
CID 113377237
ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate
CID 84563734

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate (CID 104828592) is ethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(NC(C)C(C)(C)C)n1.
What is the InChIKey of ethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate?
The InChIKey is LVORXBCVYOEROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-6-16-10(15)9-7-17-11(14-9)13-8(2)12(3,4)5/h7-8H,6H2,1-5H3,(H,13,14).
What are the key properties of ethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate?
ethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 104828592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).