5-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole

C18H15N3O2 — CID 53141011

IUPAC5-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
SMILESCCc1ccc(-c2nc(-c3ccc4oc(C)nc4c3)no2)cc1
InChIInChI=1S/C18H15N3O2/c1-3-12-4-6-13(7-5-12)18-20-17(21-23-18)14-8-9-16-15(10-14)19-11(2)22-16/h4-10H,3H2,1-2H3
InChIKeyIWPPPWMSBOTGGM-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.42
Rot. Bonds3

About 5-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole

5-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole (PubChem CID 53141011) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
PubChem CID53141011
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name5-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
SMILESCCc1ccc(-c2nc(-c3ccc4oc(C)nc4c3)no2)cc1
InChIInChI=1S/C18H15N3O2/c1-3-12-4-6-13(7-5-12)18-20-17(21-23-18)14-8-9-16-15(10-14)19-11(2)22-16/h4-10H,3H2,1-2H3
InChIKeyIWPPPWMSBOTGGM-UHFFFAOYSA-N
XLogP4.42
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole?
The IUPAC name of 5-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole (CID 53141011) is 5-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 5-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole?
The canonical SMILES for 5-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole is CCc1ccc(-c2nc(-c3ccc4oc(C)nc4c3)no2)cc1.
What is the InChIKey of 5-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole?
The InChIKey is IWPPPWMSBOTGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-3-12-4-6-13(7-5-12)18-20-17(21-23-18)14-8-9-16-15(10-14)19-11(2)22-16/h4-10H,3H2,1-2H3.
What are the key properties of 5-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole?
5-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole has a molecular weight of 305.34 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 53141011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).