3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine

C15H20N4O2 — CID 119027809

IUPAC3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
SMILESCc1ccc(-c2noc(NCCN3CCOCC3)n2)cc1
InChIInChI=1S/C15H20N4O2/c1-12-2-4-13(5-3-12)14-17-15(21-18-14)16-6-7-19-8-10-20-11-9-19/h2-5H,6-11H2,1H3,(H,16,17,18)
InChIKeyWBYWHMQZOXDVNE-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.79
Rot. Bonds5

About 3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine

3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 119027809) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
PubChem CID119027809
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
SMILESCc1ccc(-c2noc(NCCN3CCOCC3)n2)cc1
InChIInChI=1S/C15H20N4O2/c1-12-2-4-13(5-3-12)14-17-15(21-18-14)16-6-7-19-8-10-20-11-9-19/h2-5H,6-11H2,1H3,(H,16,17,18)
InChIKeyWBYWHMQZOXDVNE-UHFFFAOYSA-N
XLogP1.79
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 165350684
3-methyl-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 59058894
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342136
3-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2,4-oxadiazol-5-amine
CID 20952697
5-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 23551658
N-[[3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylethanamine
CID 92565606
4-methyl-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)pyridazin-3-amine;dihydrochloride
CID 6410830
5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 53013333
4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine
CID 50769427
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
CID 59340658
(4-methylphenyl)-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120840640

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine (CID 119027809) is 3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine is Cc1ccc(-c2noc(NCCN3CCOCC3)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is WBYWHMQZOXDVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-12-2-4-13(5-3-12)14-17-15(21-18-14)16-6-7-19-8-10-20-11-9-19/h2-5H,6-11H2,1H3,(H,16,17,18).
What are the key properties of 3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine?
3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 288.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 119027809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).