ethyl 5-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2-oxazole-4-carboxylate

C16H25NO5 — CID 149081688

IUPACethyl 5-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(CC(=O)OC(C)(C)C)noc1C(C)(C)C
InChIInChI=1S/C16H25NO5/c1-8-20-14(19)12-10(9-11(18)21-16(5,6)7)17-22-13(12)15(2,3)4/h8-9H2,1-7H3
InChIKeyQQLKYPPOUYIBSB-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.03
Rot. Bonds4

About ethyl 5-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2-oxazole-4-carboxylate

ethyl 5-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2-oxazole-4-carboxylate (PubChem CID 149081688) has the molecular formula C16H25NO5 and a molecular weight of 311.38 g/mol. Its IUPAC name is ethyl 5-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2-oxazole-4-carboxylate
PubChem CID149081688
Molecular FormulaC16H25NO5
Molecular Weight311.38 g/mol
Exact Mass311.17
IUPAC Nameethyl 5-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(CC(=O)OC(C)(C)C)noc1C(C)(C)C
InChIInChI=1S/C16H25NO5/c1-8-20-14(19)12-10(9-11(18)21-16(5,6)7)17-22-13(12)15(2,3)4/h8-9H2,1-7H3
InChIKeyQQLKYPPOUYIBSB-UHFFFAOYSA-N
XLogP3.03
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2-oxazole-4-carboxylate with MolForge

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Related Compounds

ethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate
CID 66643541
ethyl 5-cyclopropyl-3-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate
CID 121414009
tert-butyl N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-N-methylcarbamate
CID 144743274
ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 11629661
tert-butyl 2-(5-bromothieno[2,3-d][1,2]oxazol-3-yl)acetate
CID 141235235
3-O-tert-butyl 4-O-ethyl 1,2-oxazole-3,4-dicarboxylate
CID 54184374
ethyl 5-acetyl-3,6-dimethylpyridazine-4-carboxylate
CID 15307848
ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate
CID 167715134
ethyl 5-amino-4-tert-butyl-1,2-oxazole-3-carboxylate
CID 105465922
ethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 10103857
ethyl 4-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2-oxazole-5-carboxylate
CID 166520604
tert-butyl 2,3,4,5,6-pentamethylbenzoate
CID 22996594

Frequently Asked Questions

What is the IUPAC name of ethyl 5-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2-oxazole-4-carboxylate (CID 149081688) is ethyl 5-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(CC(=O)OC(C)(C)C)noc1C(C)(C)C.
What is the InChIKey of ethyl 5-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2-oxazole-4-carboxylate?
The InChIKey is QQLKYPPOUYIBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5/c1-8-20-14(19)12-10(9-11(18)21-16(5,6)7)17-22-13(12)15(2,3)4/h8-9H2,1-7H3.
What are the key properties of ethyl 5-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2-oxazole-4-carboxylate?
ethyl 5-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2-oxazole-4-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 149081688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).