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

C20H22N4O2 — CID 50970607

IUPAC4-[1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]ethyl]morpholine
SMILESCc1noc(-c2ccnc(-c3ccc(C(C)N4CCOCC4)cc3)c2)n1
InChIInChI=1S/C20H22N4O2/c1-14(24-9-11-25-12-10-24)16-3-5-17(6-4-16)19-13-18(7-8-21-19)20-22-15(2)23-26-20/h3-8,13-14H,9-12H2,1-2H3
InChIKeyQMUDYBFYHPDNKV-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.50
Rot. Bonds4

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

4-[1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]ethyl]morpholine (PubChem CID 50970607) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]ethyl]morpholine
PubChem CID50970607
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-[1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]ethyl]morpholine
SMILESCc1noc(-c2ccnc(-c3ccc(C(C)N4CCOCC4)cc3)c2)n1
InChIInChI=1S/C20H22N4O2/c1-14(24-9-11-25-12-10-24)16-3-5-17(6-4-16)19-13-18(7-8-21-19)20-22-15(2)23-26-20/h3-8,13-14H,9-12H2,1-2H3
InChIKeyQMUDYBFYHPDNKV-UHFFFAOYSA-N
XLogP3.50
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]ethyl]morpholine?
The IUPAC name of 4-[1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]ethyl]morpholine (CID 50970607) is 4-[1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]ethyl]morpholine.
What is the SMILES notation for 4-[1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]ethyl]morpholine?
The canonical SMILES for 4-[1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]ethyl]morpholine is Cc1noc(-c2ccnc(-c3ccc(C(C)N4CCOCC4)cc3)c2)n1.
What is the InChIKey of 4-[1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]ethyl]morpholine?
The InChIKey is QMUDYBFYHPDNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14(24-9-11-25-12-10-24)16-3-5-17(6-4-16)19-13-18(7-8-21-19)20-22-15(2)23-26-20/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 4-[1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]ethyl]morpholine?
4-[1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]ethyl]morpholine has a molecular weight of 350.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]phenyl]ethyl]morpholine is sourced from PubChem (CID 50970607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).