methyl (6R)-4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-6-methylmorpholine-2-carboxylate

C16H26N2O4 — CID 71919332

IUPACmethyl (6R)-4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-6-methylmorpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(C)c2ncc(C(C)(C)C)o2)C[C@@H](C)O1
InChIInChI=1S/C16H26N2O4/c1-10-8-18(9-12(21-10)15(19)20-6)11(2)14-17-7-13(22-14)16(3,4)5/h7,10-12H,8-9H2,1-6H3/t10-,11?,12?/m1/s1
InChIKeyKBPXKZWNODCRGG-VOMCLLRMSA-N
MW310.39 g/mol
LogP2.30
Rot. Bonds3

About methyl (6R)-4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-6-methylmorpholine-2-carboxylate

methyl (6R)-4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-6-methylmorpholine-2-carboxylate (PubChem CID 71919332) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is methyl (6R)-4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-6-methylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-6-methylmorpholine-2-carboxylate
PubChem CID71919332
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Namemethyl (6R)-4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-6-methylmorpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(C)c2ncc(C(C)(C)C)o2)C[C@@H](C)O1
InChIInChI=1S/C16H26N2O4/c1-10-8-18(9-12(21-10)15(19)20-6)11(2)14-17-7-13(22-14)16(3,4)5/h7,10-12H,8-9H2,1-6H3/t10-,11?,12?/m1/s1
InChIKeyKBPXKZWNODCRGG-VOMCLLRMSA-N
XLogP2.30
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (6R)-4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-6-methylmorpholine-2-carboxylate?
The IUPAC name of methyl (6R)-4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-6-methylmorpholine-2-carboxylate (CID 71919332) is methyl (6R)-4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-6-methylmorpholine-2-carboxylate.
What is the SMILES notation for methyl (6R)-4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-6-methylmorpholine-2-carboxylate?
The canonical SMILES for methyl (6R)-4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-6-methylmorpholine-2-carboxylate is COC(=O)C1CN(C(C)c2ncc(C(C)(C)C)o2)C[C@@H](C)O1.
What is the InChIKey of methyl (6R)-4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-6-methylmorpholine-2-carboxylate?
The InChIKey is KBPXKZWNODCRGG-VOMCLLRMSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-10-8-18(9-12(21-10)15(19)20-6)11(2)14-17-7-13(22-14)16(3,4)5/h7,10-12H,8-9H2,1-6H3/t10-,11?,12?/m1/s1.
What are the key properties of methyl (6R)-4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-6-methylmorpholine-2-carboxylate?
methyl (6R)-4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-6-methylmorpholine-2-carboxylate has a molecular weight of 310.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-6-methylmorpholine-2-carboxylate is sourced from PubChem (CID 71919332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).