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

C19H17N3O3 — CID 53141178

IUPAC2-ethyl-5-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
SMILESCCc1nc2cc(-c3noc(COc4ccccc4C)n3)ccc2o1
InChIInChI=1S/C19H17N3O3/c1-3-17-20-14-10-13(8-9-16(14)24-17)19-21-18(25-22-19)11-23-15-7-5-4-6-12(15)2/h4-10H,3,11H2,1-2H3
InChIKeyFDTFELNVVNWDOJ-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.33
Rot. Bonds5

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

2-ethyl-5-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole (PubChem CID 53141178) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-ethyl-5-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-ethyl-5-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
PubChem CID53141178
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2-ethyl-5-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
SMILESCCc1nc2cc(-c3noc(COc4ccccc4C)n3)ccc2o1
InChIInChI=1S/C19H17N3O3/c1-3-17-20-14-10-13(8-9-16(14)24-17)19-21-18(25-22-19)11-23-15-7-5-4-6-12(15)2/h4-10H,3,11H2,1-2H3
InChIKeyFDTFELNVVNWDOJ-UHFFFAOYSA-N
XLogP4.33
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-ethyl-5-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole (CID 53141178) is 2-ethyl-5-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-ethyl-5-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-ethyl-5-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole is CCc1nc2cc(-c3noc(COc4ccccc4C)n3)ccc2o1.
What is the InChIKey of 2-ethyl-5-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole?
The InChIKey is FDTFELNVVNWDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-3-17-20-14-10-13(8-9-16(14)24-17)19-21-18(25-22-19)11-23-15-7-5-4-6-12(15)2/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-ethyl-5-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole?
2-ethyl-5-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole has a molecular weight of 335.36 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 53141178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).