methyl 2-butyl-4-(methoxymethyl)-1,3-oxazole-5-carboxylate

C11H17NO4 — CID 114371711

IUPACmethyl 2-butyl-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
SMILESCCCCc1nc(COC)c(C(=O)OC)o1
InChIInChI=1S/C11H17NO4/c1-4-5-6-9-12-8(7-14-2)10(16-9)11(13)15-3/h4-7H2,1-3H3
InChIKeyFJVFRDRUKOKFTR-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.95
Rot. Bonds6

About methyl 2-butyl-4-(methoxymethyl)-1,3-oxazole-5-carboxylate

methyl 2-butyl-4-(methoxymethyl)-1,3-oxazole-5-carboxylate (PubChem CID 114371711) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 2-butyl-4-(methoxymethyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-butyl-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
PubChem CID114371711
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Namemethyl 2-butyl-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
SMILESCCCCc1nc(COC)c(C(=O)OC)o1
InChIInChI=1S/C11H17NO4/c1-4-5-6-9-12-8(7-14-2)10(16-9)11(13)15-3/h4-7H2,1-3H3
InChIKeyFJVFRDRUKOKFTR-UHFFFAOYSA-N
XLogP1.95
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-butyl-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-butyl-4-(methoxymethyl)-1,3-oxazole-5-carboxylate (CID 114371711) is methyl 2-butyl-4-(methoxymethyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-butyl-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-butyl-4-(methoxymethyl)-1,3-oxazole-5-carboxylate is CCCCc1nc(COC)c(C(=O)OC)o1.
What is the InChIKey of methyl 2-butyl-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
The InChIKey is FJVFRDRUKOKFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-4-5-6-9-12-8(7-14-2)10(16-9)11(13)15-3/h4-7H2,1-3H3.
What are the key properties of methyl 2-butyl-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
methyl 2-butyl-4-(methoxymethyl)-1,3-oxazole-5-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-butyl-4-(methoxymethyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114371711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).