7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(trifluoromethyl)chromen-2-one

C19H11F3N2O4 — CID 18083177

IUPAC7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(trifluoromethyl)chromen-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(OCc3nc(-c4ccccc4)no3)cc2o1
InChIInChI=1S/C19H11F3N2O4/c20-19(21,22)14-9-17(25)27-15-8-12(6-7-13(14)15)26-10-16-23-18(24-28-16)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyQOEGOOFWATZUAJ-UHFFFAOYSA-N
MW388.30 g/mol
LogP4.44
Rot. Bonds4

About 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(trifluoromethyl)chromen-2-one

7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(trifluoromethyl)chromen-2-one (PubChem CID 18083177) has the molecular formula C19H11F3N2O4 and a molecular weight of 388.30 g/mol. Its IUPAC name is 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(trifluoromethyl)chromen-2-one.

Molecular Properties

Compound Name7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(trifluoromethyl)chromen-2-one
PubChem CID18083177
Molecular FormulaC19H11F3N2O4
Molecular Weight388.30 g/mol
Exact Mass388.07
IUPAC Name7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(trifluoromethyl)chromen-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(OCc3nc(-c4ccccc4)no3)cc2o1
InChIInChI=1S/C19H11F3N2O4/c20-19(21,22)14-9-17(25)27-15-8-12(6-7-13(14)15)26-10-16-23-18(24-28-16)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyQOEGOOFWATZUAJ-UHFFFAOYSA-N
XLogP4.44
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
CID 9137817
7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one
CID 9353949
7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
CID 9137818
4-methyl-7-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methoxy]chromen-2-one
CID 46685912
7-[(6-fluoroquinolin-8-yl)methoxy]-4-(trifluoromethyl)chromen-2-one
CID 38828676
7-(1H-pyrrol-3-ylmethoxy)-4-(trifluoromethyl)chromen-2-one
CID 155663382
N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 18165439
7-[[3-[2-fluoro-4-[3-(hydroxymethyl)phenyl]phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
CID 166375581
7-methoxy-4-(trifluoromethyl)chromen-2-one
CID 688586
N-methyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-phenylacetamide
CID 18165435
5-[(4-bromo-3-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 583217
4-ethyl-1-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxymethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 25333534

Frequently Asked Questions

What is the IUPAC name of 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(trifluoromethyl)chromen-2-one?
The IUPAC name of 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(trifluoromethyl)chromen-2-one (CID 18083177) is 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(trifluoromethyl)chromen-2-one.
What is the SMILES notation for 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(trifluoromethyl)chromen-2-one?
The canonical SMILES for 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(trifluoromethyl)chromen-2-one is O=c1cc(C(F)(F)F)c2ccc(OCc3nc(-c4ccccc4)no3)cc2o1.
What is the InChIKey of 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(trifluoromethyl)chromen-2-one?
The InChIKey is QOEGOOFWATZUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2O4/c20-19(21,22)14-9-17(25)27-15-8-12(6-7-13(14)15)26-10-16-23-18(24-28-16)11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(trifluoromethyl)chromen-2-one?
7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(trifluoromethyl)chromen-2-one has a molecular weight of 388.30 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(trifluoromethyl)chromen-2-one is sourced from PubChem (CID 18083177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).