1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridin-2-one

C12H14FN3O2 — CID 126781576

IUPAC1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridin-2-one
SMILESCC(C)(C)c1nc(Cn2cc(F)ccc2=O)no1
InChIInChI=1S/C12H14FN3O2/c1-12(2,3)11-14-9(15-18-11)7-16-6-8(13)4-5-10(16)17/h4-6H,7H2,1-3H3
InChIKeyBKENMBKCJQHHDU-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.72
Rot. Bonds2

About 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridin-2-one

1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridin-2-one (PubChem CID 126781576) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridin-2-one.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridin-2-one
PubChem CID126781576
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridin-2-one
SMILESCC(C)(C)c1nc(Cn2cc(F)ccc2=O)no1
InChIInChI=1S/C12H14FN3O2/c1-12(2,3)11-14-9(15-18-11)7-16-6-8(13)4-5-10(16)17/h4-6H,7H2,1-3H3
InChIKeyBKENMBKCJQHHDU-UHFFFAOYSA-N
XLogP1.72
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridin-2-one?
The IUPAC name of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridin-2-one (CID 126781576) is 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridin-2-one.
What is the SMILES notation for 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridin-2-one?
The canonical SMILES for 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridin-2-one is CC(C)(C)c1nc(Cn2cc(F)ccc2=O)no1.
What is the InChIKey of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridin-2-one?
The InChIKey is BKENMBKCJQHHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-12(2,3)11-14-9(15-18-11)7-16-6-8(13)4-5-10(16)17/h4-6H,7H2,1-3H3.
What are the key properties of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridin-2-one?
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridin-2-one has a molecular weight of 251.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridin-2-one is sourced from PubChem (CID 126781576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).