7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromen-2-one

C18H19NO5 — CID 15066951

IUPAC7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromen-2-one
SMILESCOC(C)c1cc(COc2ccc3c(C)c(C)c(=O)oc3c2)on1
InChIInChI=1S/C18H19NO5/c1-10-11(2)18(20)23-17-8-13(5-6-15(10)17)22-9-14-7-16(19-24-14)12(3)21-4/h5-8,12H,9H2,1-4H3
InChIKeyBJDHOQUTAZEHGU-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.68
Rot. Bonds5

About 7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromen-2-one

7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromen-2-one (PubChem CID 15066951) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromen-2-one.

Molecular Properties

Compound Name7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromen-2-one
PubChem CID15066951
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromen-2-one
SMILESCOC(C)c1cc(COc2ccc3c(C)c(C)c(=O)oc3c2)on1
InChIInChI=1S/C18H19NO5/c1-10-11(2)18(20)23-17-8-13(5-6-15(10)17)22-9-14-7-16(19-24-14)12(3)21-4/h5-8,12H,9H2,1-4H3
InChIKeyBJDHOQUTAZEHGU-UHFFFAOYSA-N
XLogP3.68
TPSA74.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
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-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromene-2-thione
CID 19938364
3,4-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methoxy]chromen-2-one
CID 15066975
propan-2-yl 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 882841
2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetaldehyde
CID 11148965
7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one
CID 744840
3,4-dimethyl-7-(2-phenoxyethoxy)chromen-2-one
CID 11843295
3,4-dimethyl-7-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)methoxy]chromen-2-one
CID 71455459
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 171907889
tert-butyl 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 883280
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide
CID 770841
(2R)-2-[[2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylbutanoic acid
CID 92509236
(2S)-2-[[2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylbutanoic acid
CID 906552

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromen-2-one?
The IUPAC name of 7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromen-2-one (CID 15066951) is 7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromen-2-one.
What is the SMILES notation for 7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromen-2-one?
The canonical SMILES for 7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromen-2-one is COC(C)c1cc(COc2ccc3c(C)c(C)c(=O)oc3c2)on1.
What is the InChIKey of 7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromen-2-one?
The InChIKey is BJDHOQUTAZEHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-10-11(2)18(20)23-17-8-13(5-6-15(10)17)22-9-14-7-16(19-24-14)12(3)21-4/h5-8,12H,9H2,1-4H3.
What are the key properties of 7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromen-2-one?
7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromen-2-one has a molecular weight of 329.35 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-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromen-2-one is sourced from PubChem (CID 15066951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).