1-[3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone

C17H15N3O4 — CID 75471143

IUPAC1-[3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCc2cc(-c3nc(C4CC4)no3)no2)c1
InChIInChI=1S/C17H15N3O4/c1-10(21)12-3-2-4-13(7-12)22-9-14-8-15(19-23-14)17-18-16(20-24-17)11-5-6-11/h2-4,7-8,11H,5-6,9H2,1H3
InChIKeyBTSMZKNBFFZFBG-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.38
Rot. Bonds6

About 1-[3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone

1-[3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone (PubChem CID 75471143) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 1-[3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone
PubChem CID75471143
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name1-[3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCc2cc(-c3nc(C4CC4)no3)no2)c1
InChIInChI=1S/C17H15N3O4/c1-10(21)12-3-2-4-13(7-12)22-9-14-8-15(19-23-14)17-18-16(20-24-17)11-5-6-11/h2-4,7-8,11H,5-6,9H2,1H3
InChIKeyBTSMZKNBFFZFBG-UHFFFAOYSA-N
XLogP3.38
TPSA91.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanone
CID 28782365
1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]ethanone
CID 47063647
1-[3-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
CID 120958379
3-cyclopropyl-N-[2-[(3-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 16765761
5-[(3-acetylphenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 45250276
5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 24817207
5-[(3-acetylphenoxy)methyl]furan-3-carboxylic acid
CID 55055645
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
2-[(3-acetylphenoxy)methyl]benzoic acid
CID 43473132
1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
CID 112787991
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227
2-(3-acetylphenoxy)-1-cyclohexylethanone
CID 115582273

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone (CID 75471143) is 1-[3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone is CC(=O)c1cccc(OCc2cc(-c3nc(C4CC4)no3)no2)c1.
What is the InChIKey of 1-[3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone?
The InChIKey is BTSMZKNBFFZFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-10(21)12-3-2-4-13(7-12)22-9-14-8-15(19-23-14)17-18-16(20-24-17)11-5-6-11/h2-4,7-8,11H,5-6,9H2,1H3.
What are the key properties of 1-[3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone?
1-[3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone has a molecular weight of 325.32 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone is sourced from PubChem (CID 75471143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).