3-ethyl-5-[1-(3-phenoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole

C19H16N4O2 — CID 14473619

IUPAC3-ethyl-5-[1-(3-phenoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole
SMILESCCc1noc(-c2cn(-c3cccc(Oc4ccccc4)c3)cn2)n1
InChIInChI=1S/C19H16N4O2/c1-2-18-21-19(25-22-18)17-12-23(13-20-17)14-7-6-10-16(11-14)24-15-8-4-3-5-9-15/h3-13H,2H2,1H3
InChIKeyNFOUCXIHNXBXPM-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.28
Rot. Bonds5

About 3-ethyl-5-[1-(3-phenoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole

3-ethyl-5-[1-(3-phenoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole (PubChem CID 14473619) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-ethyl-5-[1-(3-phenoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[1-(3-phenoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole
PubChem CID14473619
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-ethyl-5-[1-(3-phenoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole
SMILESCCc1noc(-c2cn(-c3cccc(Oc4ccccc4)c3)cn2)n1
InChIInChI=1S/C19H16N4O2/c1-2-18-21-19(25-22-18)17-12-23(13-20-17)14-7-6-10-16(11-14)24-15-8-4-3-5-9-15/h3-13H,2H2,1H3
InChIKeyNFOUCXIHNXBXPM-UHFFFAOYSA-N
XLogP4.28
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[1-(3-phenoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[1-(3-phenoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole (CID 14473619) is 3-ethyl-5-[1-(3-phenoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[1-(3-phenoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[1-(3-phenoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole is CCc1noc(-c2cn(-c3cccc(Oc4ccccc4)c3)cn2)n1.
What is the InChIKey of 3-ethyl-5-[1-(3-phenoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is NFOUCXIHNXBXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-2-18-21-19(25-22-18)17-12-23(13-20-17)14-7-6-10-16(11-14)24-15-8-4-3-5-9-15/h3-13H,2H2,1H3.
What are the key properties of 3-ethyl-5-[1-(3-phenoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole?
3-ethyl-5-[1-(3-phenoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 332.36 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[1-(3-phenoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 14473619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).