4-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]morpholine

C14H17N3O2 — CID 147324404

IUPAC4-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCc1ccc(-c2nc(N3CCOCC3)no2)c(C)c1
InChIInChI=1S/C14H17N3O2/c1-10-3-4-12(11(2)9-10)13-15-14(16-19-13)17-5-7-18-8-6-17/h3-4,9H,5-8H2,1-2H3
InChIKeyDAKXSTMYTJNQAE-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.19
Rot. Bonds2

About 4-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]morpholine

4-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 147324404) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID147324404
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCc1ccc(-c2nc(N3CCOCC3)no2)c(C)c1
InChIInChI=1S/C14H17N3O2/c1-10-3-4-12(11(2)9-10)13-15-14(16-19-13)17-5-7-18-8-6-17/h3-4,9H,5-8H2,1-2H3
InChIKeyDAKXSTMYTJNQAE-UHFFFAOYSA-N
XLogP2.19
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 4-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]morpholine (CID 147324404) is 4-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 4-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 4-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]morpholine is Cc1ccc(-c2nc(N3CCOCC3)no2)c(C)c1.
What is the InChIKey of 4-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is DAKXSTMYTJNQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-3-4-12(11(2)9-10)13-15-14(16-19-13)17-5-7-18-8-6-17/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
4-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 259.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 147324404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).