2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-[(3-methyl-4-pyridinyl)methyl]morpholine

C21H24N4O2 — CID 110135448

IUPAC2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-[(3-methyl-4-pyridinyl)methyl]morpholine
SMILESCc1cnccc1CN1CCOC(c2cccc(-c3c(C)noc3C)n2)C1
InChIInChI=1S/C21H24N4O2/c1-14-11-22-8-7-17(14)12-25-9-10-26-20(13-25)18-5-4-6-19(23-18)21-15(2)24-27-16(21)3/h4-8,11,20H,9-10,12-13H2,1-3H3
InChIKeyMXARIFKTAXVVQM-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.63
Rot. Bonds4

About 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-[(3-methyl-4-pyridinyl)methyl]morpholine

2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-[(3-methyl-4-pyridinyl)methyl]morpholine (PubChem CID 110135448) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-[(3-methyl-4-pyridinyl)methyl]morpholine.

Molecular Properties

Compound Name2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-[(3-methyl-4-pyridinyl)methyl]morpholine
PubChem CID110135448
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-[(3-methyl-4-pyridinyl)methyl]morpholine
SMILESCc1cnccc1CN1CCOC(c2cccc(-c3c(C)noc3C)n2)C1
InChIInChI=1S/C21H24N4O2/c1-14-11-22-8-7-17(14)12-25-9-10-26-20(13-25)18-5-4-6-19(23-18)21-15(2)24-27-16(21)3/h4-8,11,20H,9-10,12-13H2,1-3H3
InChIKeyMXARIFKTAXVVQM-UHFFFAOYSA-N
XLogP3.63
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-[(3-methyl-4-pyridinyl)methyl]morpholine?
The IUPAC name of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-[(3-methyl-4-pyridinyl)methyl]morpholine (CID 110135448) is 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-[(3-methyl-4-pyridinyl)methyl]morpholine.
What is the SMILES notation for 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-[(3-methyl-4-pyridinyl)methyl]morpholine?
The canonical SMILES for 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-[(3-methyl-4-pyridinyl)methyl]morpholine is Cc1cnccc1CN1CCOC(c2cccc(-c3c(C)noc3C)n2)C1.
What is the InChIKey of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-[(3-methyl-4-pyridinyl)methyl]morpholine?
The InChIKey is MXARIFKTAXVVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-11-22-8-7-17(14)12-25-9-10-26-20(13-25)18-5-4-6-19(23-18)21-15(2)24-27-16(21)3/h4-8,11,20H,9-10,12-13H2,1-3H3.
What are the key properties of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-[(3-methyl-4-pyridinyl)methyl]morpholine?
2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-[(3-methyl-4-pyridinyl)methyl]morpholine has a molecular weight of 364.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-[(3-methyl-4-pyridinyl)methyl]morpholine is sourced from PubChem (CID 110135448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).