7-[[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one

C21H19NO5 — CID 7685139

IUPAC7-[[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one
SMILESCOc1ccccc1C1=NO[C@H](COc2ccc3c(C)cc(=O)oc3c2)C1
InChIInChI=1S/C21H19NO5/c1-13-9-21(23)26-20-11-14(7-8-16(13)20)25-12-15-10-18(22-27-15)17-5-3-4-6-19(17)24-2/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1
InChIKeyIUBNADXYLDCCDW-HNNXBMFYSA-N
MW365.39 g/mol
LogP3.68
Rot. Bonds5

About 7-[[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one

7-[[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one (PubChem CID 7685139) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is 7-[[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one
PubChem CID7685139
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name7-[[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one
SMILESCOc1ccccc1C1=NO[C@H](COc2ccc3c(C)cc(=O)oc3c2)C1
InChIInChI=1S/C21H19NO5/c1-13-9-21(23)26-20-11-14(7-8-16(13)20)25-12-15-10-18(22-27-15)17-5-3-4-6-19(17)24-2/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1
InChIKeyIUBNADXYLDCCDW-HNNXBMFYSA-N
XLogP3.68
TPSA70.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.68
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-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
CID 9137818
(5R)-5-(bromomethyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 99994007
(2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7934790
7-[[6,7-dimethoxy-2-(2-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]-4-methylchromen-2-one
CID 3413532
7-[[6,7-dimethoxy-2-(2-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]-4-methylchromen-2-one
CID 4220273
4-(2-methylphenyl)-7-[[(2R)-oxan-2-yl]methoxy]chromen-2-one
CID 172878954
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
(4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate
CID 9097847
7-[(7-methoxy-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-one
CID 59603185
6,7-dimethoxy-1-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CID 3404602
7-[[(1R)-6,7-dimethoxy-2-(3-phenylpropanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]-4-methylchromen-2-one
CID 2158213
7-[[(1R)-6,7-dimethoxy-2-(2-phenylacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]-4-methylchromen-2-one
CID 2158161

Frequently Asked Questions

What is the IUPAC name of 7-[[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one?
The IUPAC name of 7-[[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one (CID 7685139) is 7-[[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one.
What is the SMILES notation for 7-[[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one?
The canonical SMILES for 7-[[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one is COc1ccccc1C1=NO[C@H](COc2ccc3c(C)cc(=O)oc3c2)C1.
What is the InChIKey of 7-[[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one?
The InChIKey is IUBNADXYLDCCDW-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-13-9-21(23)26-20-11-14(7-8-16(13)20)25-12-15-10-18(22-27-15)17-5-3-4-6-19(17)24-2/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1.
What are the key properties of 7-[[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one?
7-[[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one has a molecular weight of 365.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one is sourced from PubChem (CID 7685139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).