2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-ylmorpholine

C11H13N5O2 — CID 110269335

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-ylmorpholine
SMILESCc1noc(C2CN(c3ncccn3)CCO2)n1
InChIInChI=1S/C11H13N5O2/c1-8-14-10(18-15-8)9-7-16(5-6-17-9)11-12-3-2-4-13-11/h2-4,9H,5-7H2,1H3
InChIKeyBJDCRVNEIROFAZ-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.75
Rot. Bonds2

About 2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-ylmorpholine

2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-ylmorpholine (PubChem CID 110269335) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-ylmorpholine.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-ylmorpholine
PubChem CID110269335
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-ylmorpholine
SMILESCc1noc(C2CN(c3ncccn3)CCO2)n1
InChIInChI=1S/C11H13N5O2/c1-8-14-10(18-15-8)9-7-16(5-6-17-9)11-12-3-2-4-13-11/h2-4,9H,5-7H2,1H3
InChIKeyBJDCRVNEIROFAZ-UHFFFAOYSA-N
XLogP0.75
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-ylmorpholine?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-ylmorpholine (CID 110269335) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-ylmorpholine.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-ylmorpholine?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-ylmorpholine is Cc1noc(C2CN(c3ncccn3)CCO2)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-ylmorpholine?
The InChIKey is BJDCRVNEIROFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-8-14-10(18-15-8)9-7-16(5-6-17-9)11-12-3-2-4-13-11/h2-4,9H,5-7H2,1H3.
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-ylmorpholine?
2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-ylmorpholine has a molecular weight of 247.26 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-ylmorpholine is sourced from PubChem (CID 110269335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).