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

C12H14N4O2 — CID 53133352

IUPAC4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]morpholine
SMILESCc1nc(-c2ccnc(N3CCOCC3)c2)no1
InChIInChI=1S/C12H14N4O2/c1-9-14-12(15-18-9)10-2-3-13-11(8-10)16-4-6-17-7-5-16/h2-3,8H,4-7H2,1H3
InChIKeyXKQRQNIPGKPCOR-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.28
Rot. Bonds2

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

4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]morpholine (PubChem CID 53133352) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]morpholine
PubChem CID53133352
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]morpholine
SMILESCc1nc(-c2ccnc(N3CCOCC3)c2)no1
InChIInChI=1S/C12H14N4O2/c1-9-14-12(15-18-9)10-2-3-13-11(8-10)16-4-6-17-7-5-16/h2-3,8H,4-7H2,1H3
InChIKeyXKQRQNIPGKPCOR-UHFFFAOYSA-N
XLogP1.28
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]morpholine (CID 53133352) is 4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]morpholine is Cc1nc(-c2ccnc(N3CCOCC3)c2)no1.
What is the InChIKey of 4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]morpholine?
The InChIKey is XKQRQNIPGKPCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-9-14-12(15-18-9)10-2-3-13-11(8-10)16-4-6-17-7-5-16/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]morpholine?
4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]morpholine has a molecular weight of 246.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 53133352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).