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

C12H16N4O3 — CID 2739256

IUPAC4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholine
SMILESCc1noc(C)c1-c1nc(CN2CCOCC2)no1
InChIInChI=1S/C12H16N4O3/c1-8-11(9(2)18-14-8)12-13-10(15-19-12)7-16-3-5-17-6-4-16/h3-7H2,1-2H3
InChIKeyGNSAIFLMCMDTPS-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.17
Rot. Bonds3

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

4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholine (PubChem CID 2739256) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholine
PubChem CID2739256
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholine
SMILESCc1noc(C)c1-c1nc(CN2CCOCC2)no1
InChIInChI=1S/C12H16N4O3/c1-8-11(9(2)18-14-8)12-13-10(15-19-12)7-16-3-5-17-6-4-16/h3-7H2,1-2H3
InChIKeyGNSAIFLMCMDTPS-UHFFFAOYSA-N
XLogP1.17
TPSA77.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholine (CID 2739256) is 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholine is Cc1noc(C)c1-c1nc(CN2CCOCC2)no1.
What is the InChIKey of 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholine?
The InChIKey is GNSAIFLMCMDTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8-11(9(2)18-14-8)12-13-10(15-19-12)7-16-3-5-17-6-4-16/h3-7H2,1-2H3.
What are the key properties of 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholine?
4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholine has a molecular weight of 264.28 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholine is sourced from PubChem (CID 2739256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).