7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one

C19H22N2O4 — CID 75386204

IUPAC7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESCCc1nnc(COc2ccc3c(c2)OC2(CCCCC2)CC3=O)o1
InChIInChI=1S/C19H22N2O4/c1-2-17-20-21-18(24-17)12-23-13-6-7-14-15(22)11-19(25-16(14)10-13)8-4-3-5-9-19/h6-7,10H,2-5,8-9,11-12H2,1H3
InChIKeyDARKGTVLFPTOSC-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.88
Rot. Bonds4

About 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one

7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one (PubChem CID 75386204) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one
PubChem CID75386204
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESCCc1nnc(COc2ccc3c(c2)OC2(CCCCC2)CC3=O)o1
InChIInChI=1S/C19H22N2O4/c1-2-17-20-21-18(24-17)12-23-13-6-7-14-15(22)11-19(25-16(14)10-13)8-4-3-5-9-19/h6-7,10H,2-5,8-9,11-12H2,1H3
InChIKeyDARKGTVLFPTOSC-UHFFFAOYSA-N
XLogP3.88
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one with MolForge

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Related Compounds

(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2089454
S-[5-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-1,3,4-oxadiazol-2-yl] benzenecarbothioate
CID 162643633
4-methyl-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]-2H-chromen-2-one
CID 2993069
7-[[5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one
CID 24959152
7-[[5-(3-Fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one
CID 24960630
7-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,4-dimethylchromen-2-one
CID 15066880
1-(2,4-dimethoxyphenyl)-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 7421592
1-(2,4-dimethoxyphenyl)-2-[[5-[(1R)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 7421593
1-(2,4-dimethoxyphenyl)-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 7957745
1-(2,4-dimethoxyphenyl)-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 7957746
3-(2-Chloro-6-fluorophenyl)-2-methyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]chromen-4-one
CID 9325615
[4-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-(4-fluorophenyl)methanone
CID 25646217

Frequently Asked Questions

What is the IUPAC name of 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one?
The IUPAC name of 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one (CID 75386204) is 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one.
What is the SMILES notation for 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one?
The canonical SMILES for 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one is CCc1nnc(COc2ccc3c(c2)OC2(CCCCC2)CC3=O)o1.
What is the InChIKey of 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one?
The InChIKey is DARKGTVLFPTOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-2-17-20-21-18(24-17)12-23-13-6-7-14-15(22)11-19(25-16(14)10-13)8-4-3-5-9-19/h6-7,10H,2-5,8-9,11-12H2,1H3.
What are the key properties of 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one?
7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one has a molecular weight of 342.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 75386204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).