4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholine

C20H23N5O3 — CID 127250972

IUPAC4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholine
SMILESCOc1cc(C)ccc1CN1CCOC(c2ncncc2-c2noc(C)n2)C1
InChIInChI=1S/C20H23N5O3/c1-13-4-5-15(17(8-13)26-3)10-25-6-7-27-18(11-25)19-16(9-21-12-22-19)20-23-14(2)28-24-20/h4-5,8-9,12,18H,6-7,10-11H2,1-3H3
InChIKeyQGXXFJSADFIYBI-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.73
Rot. Bonds5

About 4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholine

4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholine (PubChem CID 127250972) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholine
PubChem CID127250972
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholine
SMILESCOc1cc(C)ccc1CN1CCOC(c2ncncc2-c2noc(C)n2)C1
InChIInChI=1S/C20H23N5O3/c1-13-4-5-15(17(8-13)26-3)10-25-6-7-27-18(11-25)19-16(9-21-12-22-19)20-23-14(2)28-24-20/h4-5,8-9,12,18H,6-7,10-11H2,1-3H3
InChIKeyQGXXFJSADFIYBI-UHFFFAOYSA-N
XLogP2.73
TPSA86.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholine (CID 127250972) is 4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholine is COc1cc(C)ccc1CN1CCOC(c2ncncc2-c2noc(C)n2)C1.
What is the InChIKey of 4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholine?
The InChIKey is QGXXFJSADFIYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13-4-5-15(17(8-13)26-3)10-25-6-7-27-18(11-25)19-16(9-21-12-22-19)20-23-14(2)28-24-20/h4-5,8-9,12,18H,6-7,10-11H2,1-3H3.
What are the key properties of 4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholine?
4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholine has a molecular weight of 381.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 127250972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).