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

C19H17N3O3 — CID 53141108

IUPAC2-ethyl-5-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
SMILESCCc1nc2cc(-c3noc(Cc4ccc(OC)cc4)n3)ccc2o1
InChIInChI=1S/C19H17N3O3/c1-3-17-20-15-11-13(6-9-16(15)24-17)19-21-18(25-22-19)10-12-4-7-14(23-2)8-5-12/h4-9,11H,3,10H2,1-2H3
InChIKeyHAEQAUCIYDXFQE-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.04
Rot. Bonds5

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

2-ethyl-5-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole (PubChem CID 53141108) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-ethyl-5-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-ethyl-5-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
PubChem CID53141108
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2-ethyl-5-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
SMILESCCc1nc2cc(-c3noc(Cc4ccc(OC)cc4)n3)ccc2o1
InChIInChI=1S/C19H17N3O3/c1-3-17-20-15-11-13(6-9-16(15)24-17)19-21-18(25-22-19)10-12-4-7-14(23-2)8-5-12/h4-9,11H,3,10H2,1-2H3
InChIKeyHAEQAUCIYDXFQE-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole
CID 53141101
5-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole
CID 53141081
5-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 888655
3-(4-methoxyphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895154
3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 6459156
5-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
CID 53141067
2-ethyl-5-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141178
5-[(4-methoxyphenyl)methyl]-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53035897
5-[(4-methoxyphenyl)methyl]-3-(3-propan-2-ylbenzotriazol-5-yl)-1,2,4-oxadiazole
CID 53172638
N-[[3-(2-ethyl-1,3-benzoxazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53141079
2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-5-carbaldehyde
CID 82160122
5-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-ethyl-1,3-benzoxazole
CID 53141117

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-ethyl-5-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole (CID 53141108) is 2-ethyl-5-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-ethyl-5-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-ethyl-5-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole is CCc1nc2cc(-c3noc(Cc4ccc(OC)cc4)n3)ccc2o1.
What is the InChIKey of 2-ethyl-5-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole?
The InChIKey is HAEQAUCIYDXFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-3-17-20-15-11-13(6-9-16(15)24-17)19-21-18(25-22-19)10-12-4-7-14(23-2)8-5-12/h4-9,11H,3,10H2,1-2H3.
What are the key properties of 2-ethyl-5-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole?
2-ethyl-5-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole has a molecular weight of 335.36 g/mol, XLogP of 4.04, 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-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 53141108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).