2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone

C23H18N2O4 — CID 83284781

IUPAC2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone
SMILESCOc1cccc(-c2nc(-c3ccc(OCC(=O)c4ccccc4)cc3)no2)c1
InChIInChI=1S/C23H18N2O4/c1-27-20-9-5-8-18(14-20)23-24-22(25-29-23)17-10-12-19(13-11-17)28-15-21(26)16-6-3-2-4-7-16/h2-14H,15H2,1H3
InChIKeyNPZVFSJXHNCWFP-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.67
Rot. Bonds7

About 2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone

2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone (PubChem CID 83284781) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone.

Molecular Properties

Compound Name2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone
PubChem CID83284781
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone
SMILESCOc1cccc(-c2nc(-c3ccc(OCC(=O)c4ccccc4)cc3)no2)c1
InChIInChI=1S/C23H18N2O4/c1-27-20-9-5-8-18(14-20)23-24-22(25-29-23)17-10-12-19(13-11-17)28-15-21(26)16-6-3-2-4-7-16/h2-14H,15H2,1H3
InChIKeyNPZVFSJXHNCWFP-UHFFFAOYSA-N
XLogP4.67
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266503
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 44621438
N-benzyl-2-[3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032489
2-[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(4-methylphenyl)ethanone
CID 46160785
N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 46266536
2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 46266568
N-[(4-methoxyphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238050
3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779241
methyl 2-[[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-1,3-oxazole-4-carboxylate
CID 83283889
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973291
2-[3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide
CID 45032483

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone?
The IUPAC name of 2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone (CID 83284781) is 2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone.
What is the SMILES notation for 2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone?
The canonical SMILES for 2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone is COc1cccc(-c2nc(-c3ccc(OCC(=O)c4ccccc4)cc3)no2)c1.
What is the InChIKey of 2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone?
The InChIKey is NPZVFSJXHNCWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-27-20-9-5-8-18(14-20)23-24-22(25-29-23)17-10-12-19(13-11-17)28-15-21(26)16-6-3-2-4-7-16/h2-14H,15H2,1H3.
What are the key properties of 2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone?
2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone has a molecular weight of 386.41 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone is sourced from PubChem (CID 83284781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).