4-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]morpholine

C14H19N5O2 — CID 138030062

IUPAC4-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]morpholine
SMILESc1cn(Cc2noc(C3CC3)n2)c(CN2CCOCC2)n1
InChIInChI=1S/C14H19N5O2/c1-2-11(1)14-16-12(17-21-14)9-19-4-3-15-13(19)10-18-5-7-20-8-6-18/h3-4,11H,1-2,5-10H2
InChIKeyHAMOLLGSVORJPV-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.02
Rot. Bonds5

About 4-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]morpholine

4-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]morpholine (PubChem CID 138030062) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]morpholine
PubChem CID138030062
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name4-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]morpholine
SMILESc1cn(Cc2noc(C3CC3)n2)c(CN2CCOCC2)n1
InChIInChI=1S/C14H19N5O2/c1-2-11(1)14-16-12(17-21-14)9-19-4-3-15-13(19)10-18-5-7-20-8-6-18/h3-4,11H,1-2,5-10H2
InChIKeyHAMOLLGSVORJPV-UHFFFAOYSA-N
XLogP1.02
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]morpholine (CID 138030062) is 4-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]morpholine is c1cn(Cc2noc(C3CC3)n2)c(CN2CCOCC2)n1.
What is the InChIKey of 4-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]morpholine?
The InChIKey is HAMOLLGSVORJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-11(1)14-16-12(17-21-14)9-19-4-3-15-13(19)10-18-5-7-20-8-6-18/h3-4,11H,1-2,5-10H2.
What are the key properties of 4-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]morpholine?
4-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]morpholine has a molecular weight of 289.34 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]morpholine is sourced from PubChem (CID 138030062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).