3-(1,2-oxazol-3-yl)-5-propan-2-yl-1,2,4-oxadiazole

C8H9N3O2 — CID 131019081

IUPAC3-(1,2-oxazol-3-yl)-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(-c2ccon2)no1
InChIInChI=1S/C8H9N3O2/c1-5(2)8-9-7(11-13-8)6-3-4-12-10-6/h3-5H,1-2H3
InChIKeyQGXSYMJPROAXSJ-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.85
Rot. Bonds2

About 3-(1,2-oxazol-3-yl)-5-propan-2-yl-1,2,4-oxadiazole

3-(1,2-oxazol-3-yl)-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 131019081) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 3-(1,2-oxazol-3-yl)-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1,2-oxazol-3-yl)-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID131019081
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name3-(1,2-oxazol-3-yl)-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(-c2ccon2)no1
InChIInChI=1S/C8H9N3O2/c1-5(2)8-9-7(11-13-8)6-3-4-12-10-6/h3-5H,1-2H3
InChIKeyQGXSYMJPROAXSJ-UHFFFAOYSA-N
XLogP1.85
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 130992107
5-methyl-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole
CID 131172474
4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135912791
5-(4-methylsulfonylphenyl)-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole
CID 136531296
1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115529198
3-(4-bromo-2,6-dimethylphenyl)-5-propan-2-yl-1,2,4-oxadiazole
CID 13237467
(1S)-1-[3-[2-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 155272335
3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65197551
3-chloro-5-propan-2-yl-1,2,4-oxadiazole
CID 51000283
3-[4-(3-fluorophenyl)phenyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 71088156
3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 913867
(1S)-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899796

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-3-yl)-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(1,2-oxazol-3-yl)-5-propan-2-yl-1,2,4-oxadiazole (CID 131019081) is 3-(1,2-oxazol-3-yl)-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1,2-oxazol-3-yl)-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(1,2-oxazol-3-yl)-5-propan-2-yl-1,2,4-oxadiazole is CC(C)c1nc(-c2ccon2)no1.
What is the InChIKey of 3-(1,2-oxazol-3-yl)-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is QGXSYMJPROAXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-5(2)8-9-7(11-13-8)6-3-4-12-10-6/h3-5H,1-2H3.
What are the key properties of 3-(1,2-oxazol-3-yl)-5-propan-2-yl-1,2,4-oxadiazole?
3-(1,2-oxazol-3-yl)-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 179.18 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-3-yl)-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 131019081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).