(2R,6R)-2-[5-(indazol-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine

C16H19N5O2 — CID 167896478

IUPAC(2R,6R)-2-[5-(indazol-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine
SMILESC[C@@H]1CN(C)C[C@H](c2nnc(Cn3cc4ccccc4n3)o2)O1
InChIInChI=1S/C16H19N5O2/c1-11-7-20(2)9-14(22-11)16-18-17-15(23-16)10-21-8-12-5-3-4-6-13(12)19-21/h3-6,8,11,14H,7,9-10H2,1-2H3/t11-,14-/m1/s1
InChIKeyLHKKTGJDORVLGK-BXUZGUMPSA-N
MW313.36 g/mol
LogP1.86
Rot. Bonds3

About (2R,6R)-2-[5-(indazol-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine

(2R,6R)-2-[5-(indazol-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine (PubChem CID 167896478) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (2R,6R)-2-[5-(indazol-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-2-[5-(indazol-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine
PubChem CID167896478
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name(2R,6R)-2-[5-(indazol-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine
SMILESC[C@@H]1CN(C)C[C@H](c2nnc(Cn3cc4ccccc4n3)o2)O1
InChIInChI=1S/C16H19N5O2/c1-11-7-20(2)9-14(22-11)16-18-17-15(23-16)10-21-8-12-5-3-4-6-13(12)19-21/h3-6,8,11,14H,7,9-10H2,1-2H3/t11-,14-/m1/s1
InChIKeyLHKKTGJDORVLGK-BXUZGUMPSA-N
XLogP1.86
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-[5-(indazol-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-2-[5-(indazol-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine (CID 167896478) is (2R,6R)-2-[5-(indazol-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-2-[5-(indazol-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-2-[5-(indazol-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine is C[C@@H]1CN(C)C[C@H](c2nnc(Cn3cc4ccccc4n3)o2)O1.
What is the InChIKey of (2R,6R)-2-[5-(indazol-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine?
The InChIKey is LHKKTGJDORVLGK-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11-7-20(2)9-14(22-11)16-18-17-15(23-16)10-21-8-12-5-3-4-6-13(12)19-21/h3-6,8,11,14H,7,9-10H2,1-2H3/t11-,14-/m1/s1.
What are the key properties of (2R,6R)-2-[5-(indazol-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine?
(2R,6R)-2-[5-(indazol-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine has a molecular weight of 313.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-[5-(indazol-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine is sourced from PubChem (CID 167896478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).