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

C27H21NO5 — CID 30766438

IUPAC7-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-methyl-3-phenylchromen-4-one
SMILESCOc1ccccc1-c1cc(COc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)on1
InChIInChI=1S/C27H21NO5/c1-17-26(18-8-4-3-5-9-18)27(29)22-13-12-19(15-25(22)32-17)31-16-20-14-23(28-33-20)21-10-6-7-11-24(21)30-2/h3-15H,16H2,1-2H3
InChIKeyQBZSMSRQFQSSFG-UHFFFAOYSA-N
MW439.47 g/mol
LogP6.01
Rot. Bonds6

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

7-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-methyl-3-phenylchromen-4-one (PubChem CID 30766438) has the molecular formula C27H21NO5 and a molecular weight of 439.47 g/mol. Its IUPAC name is 7-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-methyl-3-phenylchromen-4-one.

Molecular Properties

Compound Name7-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-methyl-3-phenylchromen-4-one
PubChem CID30766438
Molecular FormulaC27H21NO5
Molecular Weight439.47 g/mol
Exact Mass439.14
IUPAC Name7-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-methyl-3-phenylchromen-4-one
SMILESCOc1ccccc1-c1cc(COc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)on1
InChIInChI=1S/C27H21NO5/c1-17-26(18-8-4-3-5-9-18)27(29)22-13-12-19(15-25(22)32-17)31-16-20-14-23(28-33-20)21-10-6-7-11-24(21)30-2/h3-15H,16H2,1-2H3
InChIKeyQBZSMSRQFQSSFG-UHFFFAOYSA-N
XLogP6.01
TPSA74.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.47
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-methyl-3-phenylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methoxy]chromen-2-one
CID 15066975
3-(2-methoxyphenyl)-2-methyl-7-(2-methylprop-2-enoxy)chromen-4-one
CID 889835
7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one
CID 5025590
3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one
CID 1301143
2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-phenylacetamide
CID 7714067
methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate
CID 26216445
N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7714060
7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one
CID 2016693
[3-(2-methoxyphenyl)-2-methyl-4-oxochromen-7-yl] 4-methylbenzoate
CID 2936402
N-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 9317092
2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide
CID 24581989
3-(4-bromophenyl)-7-[(2-chlorophenyl)methoxy]-2-methylchromen-4-one
CID 4627336

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-methyl-3-phenylchromen-4-one?
The IUPAC name of 7-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-methyl-3-phenylchromen-4-one (CID 30766438) is 7-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-methyl-3-phenylchromen-4-one.
What is the SMILES notation for 7-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-methyl-3-phenylchromen-4-one?
The canonical SMILES for 7-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-methyl-3-phenylchromen-4-one is COc1ccccc1-c1cc(COc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)on1.
What is the InChIKey of 7-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-methyl-3-phenylchromen-4-one?
The InChIKey is QBZSMSRQFQSSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO5/c1-17-26(18-8-4-3-5-9-18)27(29)22-13-12-19(15-25(22)32-17)31-16-20-14-23(28-33-20)21-10-6-7-11-24(21)30-2/h3-15H,16H2,1-2H3.
What are the key properties of 7-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-methyl-3-phenylchromen-4-one?
7-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-methyl-3-phenylchromen-4-one has a molecular weight of 439.47 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-methyl-3-phenylchromen-4-one is sourced from PubChem (CID 30766438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).