methyl 3-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxylate

C10H17NO3 — CID 101112022

IUPACmethyl 3-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1(C)CC(C(C)(C)C)=NO1
InChIInChI=1S/C10H17NO3/c1-9(2,3)7-6-10(4,14-11-7)8(12)13-5/h6H2,1-5H3
InChIKeyCOSIGTNXZLGXGY-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.74
Rot. Bonds1

About methyl 3-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxylate

methyl 3-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxylate (PubChem CID 101112022) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 3-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxylate
PubChem CID101112022
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 3-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1(C)CC(C(C)(C)C)=NO1
InChIInChI=1S/C10H17NO3/c1-9(2,3)7-6-10(4,14-11-7)8(12)13-5/h6H2,1-5H3
InChIKeyCOSIGTNXZLGXGY-UHFFFAOYSA-N
XLogP1.74
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxylate (CID 101112022) is methyl 3-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxylate is COC(=O)C1(C)CC(C(C)(C)C)=NO1.
What is the InChIKey of methyl 3-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxylate?
The InChIKey is COSIGTNXZLGXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-9(2,3)7-6-10(4,14-11-7)8(12)13-5/h6H2,1-5H3.
What are the key properties of methyl 3-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxylate?
methyl 3-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 101112022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).