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

C21H19NO5 — CID 162671809

IUPAC7-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one
SMILESCOc1ccc(C2=NOC(COc3ccc4c(C)cc(=O)oc4c3)C2)cc1
InChIInChI=1S/C21H19NO5/c1-13-9-21(23)26-20-11-16(7-8-18(13)20)25-12-17-10-19(22-27-17)14-3-5-15(24-2)6-4-14/h3-9,11,17H,10,12H2,1-2H3
InChIKeyYFHFADOOZGXITL-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.68
Rot. Bonds5

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

7-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one (PubChem CID 162671809) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is 7-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one
PubChem CID162671809
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name7-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one
SMILESCOc1ccc(C2=NOC(COc3ccc4c(C)cc(=O)oc4c3)C2)cc1
InChIInChI=1S/C21H19NO5/c1-13-9-21(23)26-20-11-16(7-8-18(13)20)25-12-17-10-19(22-27-17)14-3-5-15(24-2)6-4-14/h3-9,11,17H,10,12H2,1-2H3
InChIKeyYFHFADOOZGXITL-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 7-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one?
The IUPAC name of 7-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one (CID 162671809) is 7-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one.
What is the SMILES notation for 7-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one?
The canonical SMILES for 7-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one is COc1ccc(C2=NOC(COc3ccc4c(C)cc(=O)oc4c3)C2)cc1.
What is the InChIKey of 7-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one?
The InChIKey is YFHFADOOZGXITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-13-9-21(23)26-20-11-16(7-8-18(13)20)25-12-17-10-19(22-27-17)14-3-5-15(24-2)6-4-14/h3-9,11,17H,10,12H2,1-2H3.
What are the key properties of 7-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one?
7-[[3-(4-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-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one is sourced from PubChem (CID 162671809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).