6-methoxy-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one

C20H15NO4 — CID 139215507

IUPAC6-methoxy-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one
SMILESCOc1ccc2oc(-c3c(-c4ccccc4)noc3C)cc(=O)c2c1
InChIInChI=1S/C20H15NO4/c1-12-19(20(21-25-12)13-6-4-3-5-7-13)18-11-16(22)15-10-14(23-2)8-9-17(15)24-18/h3-11H,1-2H3
InChIKeyBRKQMPIEWUDTCC-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.43
Rot. Bonds3

About 6-methoxy-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one

6-methoxy-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one (PubChem CID 139215507) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is 6-methoxy-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one.

Molecular Properties

Compound Name6-methoxy-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one
PubChem CID139215507
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name6-methoxy-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one
SMILESCOc1ccc2oc(-c3c(-c4ccccc4)noc3C)cc(=O)c2c1
InChIInChI=1S/C20H15NO4/c1-12-19(20(21-25-12)13-6-4-3-5-7-13)18-11-16(22)15-10-14(23-2)8-9-17(15)24-18/h3-11H,1-2H3
InChIKeyBRKQMPIEWUDTCC-UHFFFAOYSA-N
XLogP4.43
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
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6-methoxy-2-naphthalen-1-ylchromen-4-one
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2-(6-methoxynaphthalen-2-yl)chromen-4-one
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2-(4-tert-butylphenyl)-6-methoxychromen-4-one
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(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
6-methoxy-2-[4-(pyrimidin-2-ylamino)phenyl]chromen-4-one
CID 108773151
6-(chloromethoxy)-2-phenylchromen-4-one
CID 174619447
6-(aminomethoxy)-2-phenylchromen-4-one
CID 174632980
2-(4-butoxyphenyl)-6-methoxychromen-4-one
CID 132609984
3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one?
The IUPAC name of 6-methoxy-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one (CID 139215507) is 6-methoxy-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one.
What is the SMILES notation for 6-methoxy-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one?
The canonical SMILES for 6-methoxy-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one is COc1ccc2oc(-c3c(-c4ccccc4)noc3C)cc(=O)c2c1.
What is the InChIKey of 6-methoxy-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one?
The InChIKey is BRKQMPIEWUDTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c1-12-19(20(21-25-12)13-6-4-3-5-7-13)18-11-16(22)15-10-14(23-2)8-9-17(15)24-18/h3-11H,1-2H3.
What are the key properties of 6-methoxy-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one?
6-methoxy-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one has a molecular weight of 333.34 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one is sourced from PubChem (CID 139215507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).