3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one

C14H18N4O4 — CID 177365359

IUPAC3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2ccc(OCCCN3CCOCC3)cn2)no1
InChIInChI=1S/C14H18N4O4/c19-14-16-13(17-22-14)12-3-2-11(10-15-12)21-7-1-4-18-5-8-20-9-6-18/h2-3,10H,1,4-9H2,(H,16,17,19)
InChIKeyVPXZPLQBMFFXFW-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.53
Rot. Bonds6

About 3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one

3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 177365359) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID177365359
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2ccc(OCCCN3CCOCC3)cn2)no1
InChIInChI=1S/C14H18N4O4/c19-14-16-13(17-22-14)12-3-2-11(10-15-12)21-7-1-4-18-5-8-20-9-6-18/h2-3,10H,1,4-9H2,(H,16,17,19)
InChIKeyVPXZPLQBMFFXFW-UHFFFAOYSA-N
XLogP0.53
TPSA93.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one with MolForge

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Related Compounds

3-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride
CID 177365517
3-[5-(4-piperazin-1-ylbutoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365390
3-[5-[2-(azepan-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365487
3-[5-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride
CID 177365440
3-[5-[4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)butoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365442
3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365479
3-[5-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365457
3-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365451
4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine
CID 169006400
3-[5-[[(3R)-1-ethylpiperidin-3-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365431
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one (CID 177365359) is 3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one is O=c1[nH]c(-c2ccc(OCCCN3CCOCC3)cn2)no1.
What is the InChIKey of 3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is VPXZPLQBMFFXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c19-14-16-13(17-22-14)12-3-2-11(10-15-12)21-7-1-4-18-5-8-20-9-6-18/h2-3,10H,1,4-9H2,(H,16,17,19).
What are the key properties of 3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 306.32 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 177365359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).