3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one

C10H11N3O2 — CID 136740797

IUPAC3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
SMILESCC(C)c1noc(-c2ccc[nH]c2=O)n1
InChIInChI=1S/C10H11N3O2/c1-6(2)8-12-10(15-13-8)7-4-3-5-11-9(7)14/h3-6H,1-2H3,(H,11,14)
InChIKeyFWPCJTDJOCRWNL-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.55
Rot. Bonds2

About 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one

3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one (PubChem CID 136740797) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
PubChem CID136740797
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
SMILESCC(C)c1noc(-c2ccc[nH]c2=O)n1
InChIInChI=1S/C10H11N3O2/c1-6(2)8-12-10(15-13-8)7-4-3-5-11-9(7)14/h3-6H,1-2H3,(H,11,14)
InChIKeyFWPCJTDJOCRWNL-UHFFFAOYSA-N
XLogP1.55
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 135572389
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one
CID 53331230
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine
CID 29041458
[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]hydrazine
CID 56766834
3-(1,3-oxazol-2-yl)-1H-pyridin-2-one
CID 90827110
3-propan-2-yl-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 94069276
4-chloro-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 73254044
4-fluoro-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 60836239
1-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660556
4-iodo-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 63111122
2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136955102
2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137002843

Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one (CID 136740797) is 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one is CC(C)c1noc(-c2ccc[nH]c2=O)n1.
What is the InChIKey of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one?
The InChIKey is FWPCJTDJOCRWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-6(2)8-12-10(15-13-8)7-4-3-5-11-9(7)14/h3-6H,1-2H3,(H,11,14).
What are the key properties of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one?
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one has a molecular weight of 205.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 136740797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).