(2S,5R)-2,5-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholine

C11H18N2O2 — CID 100569695

IUPAC(2S,5R)-2,5-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholine
SMILESCc1cc(CN2C[C@H](C)OC[C@H]2C)no1
InChIInChI=1S/C11H18N2O2/c1-8-7-14-10(3)5-13(8)6-11-4-9(2)15-12-11/h4,8,10H,5-7H2,1-3H3/t8-,10+/m1/s1
InChIKeyBIFRKQHWJQKJLO-SCZZXKLOSA-N
MW210.28 g/mol
LogP1.59
Rot. Bonds2

About (2S,5R)-2,5-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholine

(2S,5R)-2,5-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholine (PubChem CID 100569695) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (2S,5R)-2,5-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S,5R)-2,5-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholine
PubChem CID100569695
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(2S,5R)-2,5-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholine
SMILESCc1cc(CN2C[C@H](C)OC[C@H]2C)no1
InChIInChI=1S/C11H18N2O2/c1-8-7-14-10(3)5-13(8)6-11-4-9(2)15-12-11/h4,8,10H,5-7H2,1-3H3/t8-,10+/m1/s1
InChIKeyBIFRKQHWJQKJLO-SCZZXKLOSA-N
XLogP1.59
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholine?
The IUPAC name of (2S,5R)-2,5-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholine (CID 100569695) is (2S,5R)-2,5-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholine.
What is the SMILES notation for (2S,5R)-2,5-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholine?
The canonical SMILES for (2S,5R)-2,5-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholine is Cc1cc(CN2C[C@H](C)OC[C@H]2C)no1.
What is the InChIKey of (2S,5R)-2,5-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholine?
The InChIKey is BIFRKQHWJQKJLO-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-7-14-10(3)5-13(8)6-11-4-9(2)15-12-11/h4,8,10H,5-7H2,1-3H3/t8-,10+/m1/s1.
What are the key properties of (2S,5R)-2,5-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholine?
(2S,5R)-2,5-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholine has a molecular weight of 210.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholine is sourced from PubChem (CID 100569695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).