ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate

C11H16N2O3 — CID 106189842

IUPACethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NCC=C(C)C)n1
InChIInChI=1S/C11H16N2O3/c1-4-15-10(14)9-7-16-11(13-9)12-6-5-8(2)3/h5,7H,4,6H2,1-3H3,(H,12,13)
InChIKeyNGWLRFDKJWZJBE-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.23
Rot. Bonds5

About ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate

ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate (PubChem CID 106189842) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate
PubChem CID106189842
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nameethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NCC=C(C)C)n1
InChIInChI=1S/C11H16N2O3/c1-4-15-10(14)9-7-16-11(13-9)12-6-5-8(2)3/h5,7H,4,6H2,1-3H3,(H,12,13)
InChIKeyNGWLRFDKJWZJBE-UHFFFAOYSA-N
XLogP2.23
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate
CID 113377340
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-[(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-[[(1S,2S)-2-hydroxycyclooctyl]amino]-1,3-oxazole-4-carboxylate
CID 146044572
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
ethyl 2-(2-pyridin-4-ylethylamino)-1,3-oxazole-4-carboxylate
CID 113377147
ethyl 2-(3-methylsulfinylbutylamino)-1,3-oxazole-4-carboxylate
CID 113490540
ethyl 2-[3-(cyclopropylamino)propylamino]-1,3-oxazole-4-carboxylate
CID 113377151

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate (CID 106189842) is ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(NCC=C(C)C)n1.
What is the InChIKey of ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate?
The InChIKey is NGWLRFDKJWZJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-15-10(14)9-7-16-11(13-9)12-6-5-8(2)3/h5,7H,4,6H2,1-3H3,(H,12,13).
What are the key properties of ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate?
ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 106189842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).