4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine

C17H18N4O3 — CID 17449742

IUPAC4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
SMILESCc1onc(-c2ccccc2)c1-c1nnc(CN2CCOCC2)o1
InChIInChI=1S/C17H18N4O3/c1-12-15(16(20-24-12)13-5-3-2-4-6-13)17-19-18-14(23-17)11-21-7-9-22-10-8-21/h2-6H,7-11H2,1H3
InChIKeyRMMBUUCTXKDWHL-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.53
Rot. Bonds4

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

4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine (PubChem CID 17449742) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
PubChem CID17449742
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
SMILESCc1onc(-c2ccccc2)c1-c1nnc(CN2CCOCC2)o1
InChIInChI=1S/C17H18N4O3/c1-12-15(16(20-24-12)13-5-3-2-4-6-13)17-19-18-14(23-17)11-21-7-9-22-10-8-21/h2-6H,7-11H2,1H3
InChIKeyRMMBUUCTXKDWHL-UHFFFAOYSA-N
XLogP2.53
TPSA77.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine (CID 17449742) is 4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine is Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCOCC2)o1.
What is the InChIKey of 4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
The InChIKey is RMMBUUCTXKDWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-12-15(16(20-24-12)13-5-3-2-4-6-13)17-19-18-14(23-17)11-21-7-9-22-10-8-21/h2-6H,7-11H2,1H3.
What are the key properties of 4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine has a molecular weight of 326.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine is sourced from PubChem (CID 17449742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).