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

C14H13N3O3 — CID 75451763

IUPAC5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(-c2oc(C)nc2C)n1
InChIInChI=1S/C14H13N3O3/c1-8-12(19-9(2)15-8)14-16-13(17-20-14)10-6-4-5-7-11(10)18-3/h4-7H,1-3H3
InChIKeyYVELZLVATWDTRW-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.02
Rot. Bonds3

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

5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 75451763) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID75451763
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(-c2oc(C)nc2C)n1
InChIInChI=1S/C14H13N3O3/c1-8-12(19-9(2)15-8)14-16-13(17-20-14)10-6-4-5-7-11(10)18-3/h4-7H,1-3H3
InChIKeyYVELZLVATWDTRW-UHFFFAOYSA-N
XLogP3.02
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 75451763) is 5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccccc1-c1noc(-c2oc(C)nc2C)n1.
What is the InChIKey of 5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is YVELZLVATWDTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-8-12(19-9(2)15-8)14-16-13(17-20-14)10-6-4-5-7-11(10)18-3/h4-7H,1-3H3.
What are the key properties of 5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 271.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 75451763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).