2-(4-ethyl-1,2,4-triazol-3-yl)-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]morpholine

C18H23N7O2 — CID 154755868

IUPAC2-(4-ethyl-1,2,4-triazol-3-yl)-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]morpholine
SMILESCCn1cnnc1C1CN(c2cc(-c3nc(C(C)C)no3)ccn2)CCO1
InChIInChI=1S/C18H23N7O2/c1-4-24-11-20-22-17(24)14-10-25(7-8-26-14)15-9-13(5-6-19-15)18-21-16(12(2)3)23-27-18/h5-6,9,11-12,14H,4,7-8,10H2,1-3H3
InChIKeyYVFJVUPASYJFIQ-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.44
Rot. Bonds5

About 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]morpholine

2-(4-ethyl-1,2,4-triazol-3-yl)-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]morpholine (PubChem CID 154755868) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name2-(4-ethyl-1,2,4-triazol-3-yl)-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]morpholine
PubChem CID154755868
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name2-(4-ethyl-1,2,4-triazol-3-yl)-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]morpholine
SMILESCCn1cnnc1C1CN(c2cc(-c3nc(C(C)C)no3)ccn2)CCO1
InChIInChI=1S/C18H23N7O2/c1-4-24-11-20-22-17(24)14-10-25(7-8-26-14)15-9-13(5-6-19-15)18-21-16(12(2)3)23-27-18/h5-6,9,11-12,14H,4,7-8,10H2,1-3H3
InChIKeyYVFJVUPASYJFIQ-UHFFFAOYSA-N
XLogP2.44
TPSA94.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine
CID 28392346
2-Methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)morpholine
CID 71918717
3-Methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 71978085
4-[[1-[4-(3-Methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine
CID 71978113
1-(4-{[7-(3-Phenyl-1,2,4-oxadiazol-5-YL)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]methyl}piperazin-1-YL)ethan-1-one
CID 91893361
4-[5-(Pyridin-4-YL)-1,2,4-oxadiazol-3-YL]-2-(pyrrolidin-1-YL)pyridine
CID 53133357
Bis(2-methylpropyl)({[7-(3-phenyl-1,2,4-oxadiazol-5-YL)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]methyl})amine
CID 91893348
Ethyl 1-{[7-(3-phenyl-1,2,4-oxadiazol-5-YL)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]methyl}piperidine-4-carboxylate
CID 91893355
4-{[7-(3-Phenyl-1,2,4-oxadiazol-5-YL)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]methyl}morpholine
CID 91893358
4-{3-[1-(Oxane-4-carbonyl)pyrrolidin-3-YL]-1,2,4-oxadiazol-5-YL}pyridine
CID 91905660
3-Methyl-1-{3-[5-(pyridin-4-YL)-1,2,4-oxadiazol-3-YL]pyrrolidin-1-YL}butan-1-one
CID 91915205
"N-(3-ethoxypropyl)-3-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinecarboxamide"
CID 91915211

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]morpholine?
The IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]morpholine (CID 154755868) is 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]morpholine is CCn1cnnc1C1CN(c2cc(-c3nc(C(C)C)no3)ccn2)CCO1.
What is the InChIKey of 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]morpholine?
The InChIKey is YVFJVUPASYJFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-4-24-11-20-22-17(24)14-10-25(7-8-26-14)15-9-13(5-6-19-15)18-21-16(12(2)3)23-27-18/h5-6,9,11-12,14H,4,7-8,10H2,1-3H3.
What are the key properties of 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]morpholine?
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]morpholine has a molecular weight of 369.43 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1,2,4-triazol-3-yl)-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 154755868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).