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

C18H24N4O3 — CID 95867445

IUPAC4-[(2S)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxy]hex-5-enyl]morpholine
SMILESC=CCC[C@@H](CN1CCOCC1)Oc1ccc(-c2nc(C)no2)cn1
InChIInChI=1S/C18H24N4O3/c1-3-4-5-16(13-22-8-10-23-11-9-22)24-17-7-6-15(12-19-17)18-20-14(2)21-25-18/h3,6-7,12,16H,1,4-5,8-11,13H2,2H3/t16-/m0/s1
InChIKeyBDBRDNSGPJIWSY-INIZCTEOSA-N
MW344.42 g/mol
LogP2.49
Rot. Bonds8

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

4-[(2S)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxy]hex-5-enyl]morpholine (PubChem CID 95867445) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[(2S)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxy]hex-5-enyl]morpholine.

Molecular Properties

Compound Name4-[(2S)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxy]hex-5-enyl]morpholine
PubChem CID95867445
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-[(2S)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxy]hex-5-enyl]morpholine
SMILESC=CCC[C@@H](CN1CCOCC1)Oc1ccc(-c2nc(C)no2)cn1
InChIInChI=1S/C18H24N4O3/c1-3-4-5-16(13-22-8-10-23-11-9-22)24-17-7-6-15(12-19-17)18-20-14(2)21-25-18/h3,6-7,12,16H,1,4-5,8-11,13H2,2H3/t16-/m0/s1
InChIKeyBDBRDNSGPJIWSY-INIZCTEOSA-N
XLogP2.49
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxy]hex-5-enyl]morpholine?
The IUPAC name of 4-[(2S)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxy]hex-5-enyl]morpholine (CID 95867445) is 4-[(2S)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxy]hex-5-enyl]morpholine.
What is the SMILES notation for 4-[(2S)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxy]hex-5-enyl]morpholine?
The canonical SMILES for 4-[(2S)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxy]hex-5-enyl]morpholine is C=CCC[C@@H](CN1CCOCC1)Oc1ccc(-c2nc(C)no2)cn1.
What is the InChIKey of 4-[(2S)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxy]hex-5-enyl]morpholine?
The InChIKey is BDBRDNSGPJIWSY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-3-4-5-16(13-22-8-10-23-11-9-22)24-17-7-6-15(12-19-17)18-20-14(2)21-25-18/h3,6-7,12,16H,1,4-5,8-11,13H2,2H3/t16-/m0/s1.
What are the key properties of 4-[(2S)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxy]hex-5-enyl]morpholine?
4-[(2S)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxy]hex-5-enyl]morpholine has a molecular weight of 344.42 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxy]hex-5-enyl]morpholine is sourced from PubChem (CID 95867445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).