(2R,6R)-4-(3-chloro-4-pyridinyl)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine

C13H15ClN4O2 — CID 154798514

IUPAC(2R,6R)-4-(3-chloro-4-pyridinyl)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc([C@H]2CN(c3ccncc3Cl)C[C@@H](C)O2)o1
InChIInChI=1S/C13H15ClN4O2/c1-8-6-18(11-3-4-15-5-10(11)14)7-12(19-8)13-17-16-9(2)20-13/h3-5,8,12H,6-7H2,1-2H3/t8-,12-/m1/s1
InChIKeySDKWLAPWZBLAPA-PRHODGIISA-N
MW294.74 g/mol
LogP2.39
Rot. Bonds2

About (2R,6R)-4-(3-chloro-4-pyridinyl)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine

(2R,6R)-4-(3-chloro-4-pyridinyl)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (PubChem CID 154798514) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is (2R,6R)-4-(3-chloro-4-pyridinyl)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2R,6R)-4-(3-chloro-4-pyridinyl)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
PubChem CID154798514
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name(2R,6R)-4-(3-chloro-4-pyridinyl)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc([C@H]2CN(c3ccncc3Cl)C[C@@H](C)O2)o1
InChIInChI=1S/C13H15ClN4O2/c1-8-6-18(11-3-4-15-5-10(11)14)7-12(19-8)13-17-16-9(2)20-13/h3-5,8,12H,6-7H2,1-2H3/t8-,12-/m1/s1
InChIKeySDKWLAPWZBLAPA-PRHODGIISA-N
XLogP2.39
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-(3-chloro-4-pyridinyl)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The IUPAC name of (2R,6R)-4-(3-chloro-4-pyridinyl)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (CID 154798514) is (2R,6R)-4-(3-chloro-4-pyridinyl)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.
What is the SMILES notation for (2R,6R)-4-(3-chloro-4-pyridinyl)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The canonical SMILES for (2R,6R)-4-(3-chloro-4-pyridinyl)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is Cc1nnc([C@H]2CN(c3ccncc3Cl)C[C@@H](C)O2)o1.
What is the InChIKey of (2R,6R)-4-(3-chloro-4-pyridinyl)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The InChIKey is SDKWLAPWZBLAPA-PRHODGIISA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-8-6-18(11-3-4-15-5-10(11)14)7-12(19-8)13-17-16-9(2)20-13/h3-5,8,12H,6-7H2,1-2H3/t8-,12-/m1/s1.
What are the key properties of (2R,6R)-4-(3-chloro-4-pyridinyl)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
(2R,6R)-4-(3-chloro-4-pyridinyl)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine has a molecular weight of 294.74 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-(3-chloro-4-pyridinyl)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is sourced from PubChem (CID 154798514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).