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

C12H9N3O3 — CID 99963028

IUPAC3-(3-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(-c3cnco3)n2)c1
InChIInChI=1S/C12H9N3O3/c1-16-9-4-2-3-8(5-9)11-14-12(18-15-11)10-6-13-7-17-10/h2-7H,1H3
InChIKeyUANVIKJUOAQXNF-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.40
Rot. Bonds3

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

3-(3-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole (PubChem CID 99963028) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole
PubChem CID99963028
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name3-(3-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(-c3cnco3)n2)c1
InChIInChI=1S/C12H9N3O3/c1-16-9-4-2-3-8(5-9)11-14-12(18-15-11)10-6-13-7-17-10/h2-7H,1H3
InChIKeyUANVIKJUOAQXNF-UHFFFAOYSA-N
XLogP2.40
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706529
3-(2-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole
CID 99963060
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
5-(2,4-dimethylpyrimidin-5-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 99821058
4-bromo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62072815
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904028
methyl 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 6461496
3-(3-methoxyphenyl)-5-(4-nitrophenyl)-1,2,4-oxadiazole
CID 2983228
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43519239
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 154844159

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole (CID 99963028) is 3-(3-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole is COc1cccc(-c2noc(-c3cnco3)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is UANVIKJUOAQXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c1-16-9-4-2-3-8(5-9)11-14-12(18-15-11)10-6-13-7-17-10/h2-7H,1H3.
What are the key properties of 3-(3-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole?
3-(3-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 243.22 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 99963028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).