2-[5-(2-butan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide

C14H18N4O3 — CID 84596661

IUPAC2-[5-(2-butan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCCC(C)Oc1cc(-c2nc(CC(=O)NC)no2)ccn1
InChIInChI=1S/C14H18N4O3/c1-4-9(2)20-13-7-10(5-6-16-13)14-17-11(18-21-14)8-12(19)15-3/h5-7,9H,4,8H2,1-3H3,(H,15,19)
InChIKeyQOSMCYZCRZGSOX-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.60
Rot. Bonds6

About 2-[5-(2-butan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide

2-[5-(2-butan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide (PubChem CID 84596661) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[5-(2-butan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(2-butan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide
PubChem CID84596661
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-[5-(2-butan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCCC(C)Oc1cc(-c2nc(CC(=O)NC)no2)ccn1
InChIInChI=1S/C14H18N4O3/c1-4-9(2)20-13-7-10(5-6-16-13)14-17-11(18-21-14)8-12(19)15-3/h5-7,9H,4,8H2,1-3H3,(H,15,19)
InChIKeyQOSMCYZCRZGSOX-UHFFFAOYSA-N
XLogP1.60
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-butan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[5-(2-butan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide (CID 84596661) is 2-[5-(2-butan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-(2-butan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-(2-butan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide is CCC(C)Oc1cc(-c2nc(CC(=O)NC)no2)ccn1.
What is the InChIKey of 2-[5-(2-butan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The InChIKey is QOSMCYZCRZGSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-4-9(2)20-13-7-10(5-6-16-13)14-17-11(18-21-14)8-12(19)15-3/h5-7,9H,4,8H2,1-3H3,(H,15,19).
What are the key properties of 2-[5-(2-butan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
2-[5-(2-butan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide has a molecular weight of 290.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-butan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide is sourced from PubChem (CID 84596661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).