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

C21H17NO4 — CID 15066975

IUPAC3,4-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methoxy]chromen-2-one
SMILESCc1c(C)c2ccc(OCc3cc(-c4ccccc4)no3)cc2oc1=O
InChIInChI=1S/C21H17NO4/c1-13-14(2)21(23)25-20-11-16(8-9-18(13)20)24-12-17-10-19(22-26-17)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyQANSLFPFESDOPA-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.64
Rot. Bonds4

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

3,4-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methoxy]chromen-2-one (PubChem CID 15066975) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3,4-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methoxy]chromen-2-one.

Molecular Properties

Compound Name3,4-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methoxy]chromen-2-one
PubChem CID15066975
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name3,4-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methoxy]chromen-2-one
SMILESCc1c(C)c2ccc(OCc3cc(-c4ccccc4)no3)cc2oc1=O
InChIInChI=1S/C21H17NO4/c1-13-14(2)21(23)25-20-11-16(8-9-18(13)20)24-12-17-10-19(22-26-17)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyQANSLFPFESDOPA-UHFFFAOYSA-N
XLogP4.64
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-dimethylchromen-2-one
CID 15066951
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
7-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-methyl-3-phenylchromen-4-one
CID 30766438
3,4-dimethyl-7-(2-phenoxyethoxy)chromen-2-one
CID 11843295
3,4-dimethyl-7-[(6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]chromen-2-one
CID 155816295
7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one
CID 744840
3-bromo-4-methyl-7-phenacyloxychromen-2-one
CID 46197762
2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid
CID 11502852
2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline
CID 61027686
2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetaldehyde
CID 11148965
3,4-dimethyl-7-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)methoxy]chromen-2-one
CID 71455459
7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one
CID 44963511

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methoxy]chromen-2-one?
The IUPAC name of 3,4-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methoxy]chromen-2-one (CID 15066975) is 3,4-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methoxy]chromen-2-one.
What is the SMILES notation for 3,4-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methoxy]chromen-2-one?
The canonical SMILES for 3,4-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methoxy]chromen-2-one is Cc1c(C)c2ccc(OCc3cc(-c4ccccc4)no3)cc2oc1=O.
What is the InChIKey of 3,4-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methoxy]chromen-2-one?
The InChIKey is QANSLFPFESDOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c1-13-14(2)21(23)25-20-11-16(8-9-18(13)20)24-12-17-10-19(22-26-17)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3.
What are the key properties of 3,4-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methoxy]chromen-2-one?
3,4-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methoxy]chromen-2-one has a molecular weight of 347.37 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methoxy]chromen-2-one is sourced from PubChem (CID 15066975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).