methyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate

C11H16N2O4 — CID 97064939

IUPACmethyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate
SMILESCOC(=O)[C@@H]1CN(Cc2ccon2)C[C@@H](C)O1
InChIInChI=1S/C11H16N2O4/c1-8-5-13(6-9-3-4-16-12-9)7-10(17-8)11(14)15-2/h3-4,8,10H,5-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyHNUFOZNUDFEAFI-SCZZXKLOSA-N
MW240.26 g/mol
LogP0.44
Rot. Bonds3

About methyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate

methyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate (PubChem CID 97064939) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate
PubChem CID97064939
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate
SMILESCOC(=O)[C@@H]1CN(Cc2ccon2)C[C@@H](C)O1
InChIInChI=1S/C11H16N2O4/c1-8-5-13(6-9-3-4-16-12-9)7-10(17-8)11(14)15-2/h3-4,8,10H,5-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyHNUFOZNUDFEAFI-SCZZXKLOSA-N
XLogP0.44
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2R,6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate
CID 97059746
methyl (6R)-6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxylate
CID 71970330
methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate
CID 75426549
methyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate
CID 127003930
methyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate
CID 97064914
methyl (2R,6R)-6-methyl-4-(2-pyridin-2-ylethyl)morpholine-2-carboxylate
CID 97064912
methyl (2R,6R)-6-methyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine-2-carboxylate
CID 97064946
methyl (2R,6R)-4-[(3-cyano-4-fluorophenyl)methyl]-6-methylmorpholine-2-carboxylate
CID 97320861
methyl (2S,6R)-4-(cyclobutylmethyl)-6-methylmorpholine-2-carboxylate
CID 97064897
methyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate
CID 97064900
methyl (6R)-6-methyl-4-(3-piperidin-1-ylpropyl)morpholine-2-carboxylate
CID 86800408
methyl (2S,6R)-4-[3-(1,3-benzoxazol-2-yl)propyl]-6-methylmorpholine-2-carboxylate
CID 97064905

Frequently Asked Questions

What is the IUPAC name of methyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate?
The IUPAC name of methyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate (CID 97064939) is methyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate?
The canonical SMILES for methyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate is COC(=O)[C@@H]1CN(Cc2ccon2)C[C@@H](C)O1.
What is the InChIKey of methyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate?
The InChIKey is HNUFOZNUDFEAFI-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-8-5-13(6-9-3-4-16-12-9)7-10(17-8)11(14)15-2/h3-4,8,10H,5-7H2,1-2H3/t8-,10+/m1/s1.
What are the key properties of methyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate?
methyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate is sourced from PubChem (CID 97064939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).