4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide

C18H18N4O2 — CID 667196

IUPAC4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide
SMILESCc1cccc(-c2noc(CCCC(=O)Nc3cccnc3)n2)c1
InChIInChI=1S/C18H18N4O2/c1-13-5-2-6-14(11-13)18-21-17(24-22-18)9-3-8-16(23)20-15-7-4-10-19-12-15/h2,4-7,10-12H,3,8-9H2,1H3,(H,20,23)
InChIKeyUQXUIJSXTNUMST-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.40
Rot. Bonds6

About 4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide

4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide (PubChem CID 667196) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide
PubChem CID667196
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide
SMILESCc1cccc(-c2noc(CCCC(=O)Nc3cccnc3)n2)c1
InChIInChI=1S/C18H18N4O2/c1-13-5-2-6-14(11-13)18-21-17(24-22-18)9-3-8-16(23)20-15-7-4-10-19-12-15/h2,4-7,10-12H,3,8-9H2,1H3,(H,20,23)
InChIKeyUQXUIJSXTNUMST-UHFFFAOYSA-N
XLogP3.40
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide?
The IUPAC name of 4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide (CID 667196) is 4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide?
The canonical SMILES for 4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide is Cc1cccc(-c2noc(CCCC(=O)Nc3cccnc3)n2)c1.
What is the InChIKey of 4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide?
The InChIKey is UQXUIJSXTNUMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-5-2-6-14(11-13)18-21-17(24-22-18)9-3-8-16(23)20-15-7-4-10-19-12-15/h2,4-7,10-12H,3,8-9H2,1H3,(H,20,23).
What are the key properties of 4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide?
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide has a molecular weight of 322.37 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 667196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).