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

C6H5N3O2 — CID 131172474

IUPAC5-methyl-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole
SMILESCc1nc(-c2ccon2)no1
InChIInChI=1S/C6H5N3O2/c1-4-7-6(9-11-4)5-2-3-10-8-5/h2-3H,1H3
InChIKeyOAKFYXOOWBAUFW-UHFFFAOYSA-N
MW151.12 g/mol
LogP1.03
Rot. Bonds1

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

5-methyl-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole (PubChem CID 131172474) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 5-methyl-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole
PubChem CID131172474
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name5-methyl-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole
SMILESCc1nc(-c2ccon2)no1
InChIInChI=1S/C6H5N3O2/c1-4-7-6(9-11-4)5-2-3-10-8-5/h2-3H,1H3
InChIKeyOAKFYXOOWBAUFW-UHFFFAOYSA-N
XLogP1.03
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,2-oxazol-3-yl)-5-propan-2-yl-1,2,4-oxadiazole
CID 131019081
2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carboxylic acid
CID 71289011
1-[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 130992107
5-(4-methylsulfonylphenyl)-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole
CID 136531296
3-(5-bromo-2-pyridinyl)-5-methyl-1,2,4-oxadiazole
CID 23438610
5-(4-fluoro-3-methoxyphenyl)-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole
CID 136531294
3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole
CID 684002
5-methyl-3-(1,2-oxazol-5-yl)-1,2,4-oxadiazole
CID 56994394
2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol
CID 135449004
3-(2-iodophenyl)-5-methyl-1,2,4-oxadiazole
CID 131159700
3-(2-methyltetrazol-5-yl)-1,2-oxazole
CID 90705230
5-methyl-3-(1-oxidopyridin-1-ium-4-yl)-1,2,4-oxadiazole
CID 91619138

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole (CID 131172474) is 5-methyl-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole is Cc1nc(-c2ccon2)no1.
What is the InChIKey of 5-methyl-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is OAKFYXOOWBAUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c1-4-7-6(9-11-4)5-2-3-10-8-5/h2-3H,1H3.
What are the key properties of 5-methyl-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole?
5-methyl-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 151.12 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 131172474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).