4-methoxy-2,3-dihydroinden-1-one;4-(2-methoxyethyl)-2-phenyl-1,3-oxazole

C22H23NO4 — CID 142856128

IUPAC4-methoxy-2,3-dihydroinden-1-one;4-(2-methoxyethyl)-2-phenyl-1,3-oxazole
SMILESCOCCc1coc(-c2ccccc2)n1.COc1cccc2c1CCC2=O
InChIInChI=1S/C12H13NO2.C10H10O2/c1-14-8-7-11-9-15-12(13-11)10-5-3-2-4-6-10;1-12-10-4-2-3-7-8(10)5-6-9(7)11/h2-6,9H,7-8H2,1H3;2-4H,5-6H2,1H3
InChIKeyYXTSQFUVOQMCNL-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.35
Rot. Bonds5

About 4-methoxy-2,3-dihydroinden-1-one;4-(2-methoxyethyl)-2-phenyl-1,3-oxazole

4-methoxy-2,3-dihydroinden-1-one;4-(2-methoxyethyl)-2-phenyl-1,3-oxazole (PubChem CID 142856128) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-methoxy-2,3-dihydroinden-1-one;4-(2-methoxyethyl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-methoxy-2,3-dihydroinden-1-one;4-(2-methoxyethyl)-2-phenyl-1,3-oxazole
PubChem CID142856128
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name4-methoxy-2,3-dihydroinden-1-one;4-(2-methoxyethyl)-2-phenyl-1,3-oxazole
SMILESCOCCc1coc(-c2ccccc2)n1.COc1cccc2c1CCC2=O
InChIInChI=1S/C12H13NO2.C10H10O2/c1-14-8-7-11-9-15-12(13-11)10-5-3-2-4-6-10;1-12-10-4-2-3-7-8(10)5-6-9(7)11/h2-6,9H,7-8H2,1H3;2-4H,5-6H2,1H3
InChIKeyYXTSQFUVOQMCNL-UHFFFAOYSA-N
XLogP4.35
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dihydroinden-1-one;4-(2-methoxyethyl)-2-phenyl-1,3-oxazole?
The IUPAC name of 4-methoxy-2,3-dihydroinden-1-one;4-(2-methoxyethyl)-2-phenyl-1,3-oxazole (CID 142856128) is 4-methoxy-2,3-dihydroinden-1-one;4-(2-methoxyethyl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-methoxy-2,3-dihydroinden-1-one;4-(2-methoxyethyl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-methoxy-2,3-dihydroinden-1-one;4-(2-methoxyethyl)-2-phenyl-1,3-oxazole is COCCc1coc(-c2ccccc2)n1.COc1cccc2c1CCC2=O.
What is the InChIKey of 4-methoxy-2,3-dihydroinden-1-one;4-(2-methoxyethyl)-2-phenyl-1,3-oxazole?
The InChIKey is YXTSQFUVOQMCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2.C10H10O2/c1-14-8-7-11-9-15-12(13-11)10-5-3-2-4-6-10;1-12-10-4-2-3-7-8(10)5-6-9(7)11/h2-6,9H,7-8H2,1H3;2-4H,5-6H2,1H3.
What are the key properties of 4-methoxy-2,3-dihydroinden-1-one;4-(2-methoxyethyl)-2-phenyl-1,3-oxazole?
4-methoxy-2,3-dihydroinden-1-one;4-(2-methoxyethyl)-2-phenyl-1,3-oxazole has a molecular weight of 365.43 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dihydroinden-1-one;4-(2-methoxyethyl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 142856128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).