5-fluoro-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one

C11H12FN3O2 — CID 99831421

IUPAC5-fluoro-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
SMILESCC(C)c1nnc(Cn2cc(F)ccc2=O)o1
InChIInChI=1S/C11H12FN3O2/c1-7(2)11-14-13-9(17-11)6-15-5-8(12)3-4-10(15)16/h3-5,7H,6H2,1-2H3
InChIKeyNYGHMHKCQUQZSS-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.54
Rot. Bonds3

About 5-fluoro-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one

5-fluoro-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one (PubChem CID 99831421) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 5-fluoro-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
PubChem CID99831421
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name5-fluoro-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
SMILESCC(C)c1nnc(Cn2cc(F)ccc2=O)o1
InChIInChI=1S/C11H12FN3O2/c1-7(2)11-14-13-9(17-11)6-15-5-8(12)3-4-10(15)16/h3-5,7H,6H2,1-2H3
InChIKeyNYGHMHKCQUQZSS-UHFFFAOYSA-N
XLogP1.54
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Iodo-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 84590849
1-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 39060063
1-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 45811938
N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)pyridin-1(2H)-yl]acetamide
CID 72907766
1-[(5-Cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-5-fluoropyridin-2-one
CID 100678755
1-[1-(5-Ethyl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)pyridin-2-one
CID 132378441
1-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 133831534
5-Fluoro-3-iodo-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 136529849
4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3H-pyridin-3-id-6-one;yttrium
CID 172336154
ethane;4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3H-pyridin-3-id-6-one;yttrium
CID 172336641
1-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxopyridine-4-carboxamide
CID 176096483
5-Bromo-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 60627666

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The IUPAC name of 5-fluoro-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one (CID 99831421) is 5-fluoro-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-fluoro-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-fluoro-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one is CC(C)c1nnc(Cn2cc(F)ccc2=O)o1.
What is the InChIKey of 5-fluoro-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The InChIKey is NYGHMHKCQUQZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-7(2)11-14-13-9(17-11)6-15-5-8(12)3-4-10(15)16/h3-5,7H,6H2,1-2H3.
What are the key properties of 5-fluoro-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
5-fluoro-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one has a molecular weight of 237.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 99831421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).