6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-5-(2-morpholin-4-ylethoxy)-1-benzofuran-3-carboxylic acid

C26H25FN2O6 — CID 142773594

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-5-(2-morpholin-4-ylethoxy)-1-benzofuran-3-carboxylic acid
SMILESCc1noc(C)c1-c1cc2oc(-c3ccc(F)cc3)c(C(=O)O)c2cc1OCCN1CCOCC1
InChIInChI=1S/C26H25FN2O6/c1-15-23(16(2)35-28-15)19-14-22-20(13-21(19)33-12-9-29-7-10-32-11-8-29)24(26(30)31)25(34-22)17-3-5-18(27)6-4-17/h3-6,13-14H,7-12H2,1-2H3,(H,30,31)
InChIKeyRAWJWEHJFUOHHI-UHFFFAOYSA-N
MW480.49 g/mol
LogP4.92
Rot. Bonds7

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-5-(2-morpholin-4-ylethoxy)-1-benzofuran-3-carboxylic acid

6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-5-(2-morpholin-4-ylethoxy)-1-benzofuran-3-carboxylic acid (PubChem CID 142773594) has the molecular formula C26H25FN2O6 and a molecular weight of 480.49 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-5-(2-morpholin-4-ylethoxy)-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-5-(2-morpholin-4-ylethoxy)-1-benzofuran-3-carboxylic acid
PubChem CID142773594
Molecular FormulaC26H25FN2O6
Molecular Weight480.49 g/mol
Exact Mass480.17
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-5-(2-morpholin-4-ylethoxy)-1-benzofuran-3-carboxylic acid
SMILESCc1noc(C)c1-c1cc2oc(-c3ccc(F)cc3)c(C(=O)O)c2cc1OCCN1CCOCC1
InChIInChI=1S/C26H25FN2O6/c1-15-23(16(2)35-28-15)19-14-22-20(13-21(19)33-12-9-29-7-10-32-11-8-29)24(26(30)31)25(34-22)17-3-5-18(27)6-4-17/h3-6,13-14H,7-12H2,1-2H3,(H,30,31)
InChIKeyRAWJWEHJFUOHHI-UHFFFAOYSA-N
XLogP4.92
TPSA98.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-5-(2-morpholin-4-ylethoxy)-1-benzofuran-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-5-methoxy-6-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-1-benzofuran-3-carboxylic acid
CID 142773413
carbamoyl 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-5-(1,3-thiazol-2-ylmethoxy)-1-benzofuran-3-carboxylate
CID 90692676
2-(4-fluorophenyl)-5-(2-hydroxypropoxy)-6-morpholin-4-yl-1-benzofuran-3-carboxylic acid
CID 142773423
2-(4-fluorophenyl)-5-(2-methoxyethoxy)-N-methyl-6-morpholin-4-yl-1-benzofuran-3-carboxamide
CID 10048210
carbamoyl 2-(4-fluorophenyl)-6-(morpholin-4-ylmethyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylate
CID 90789103
6-(1,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 142773499
carbamoyl 5-ethoxy-2-(4-fluorophenyl)-6-morpholin-4-yl-1-benzofuran-3-carboxylate
CID 91046505
6-(diethylamino)-5-ethoxy-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773431
2-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-5-methoxy-1-benzofuran-3-carboxylic acid
CID 142773481
2-(4-fluorophenyl)-6-(1,3-oxazol-5-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 142773595
N-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide
CID 163277132
2-(4-fluorophenyl)-N-methyl-5-[5-(2-methylpropylcarbamoyl)-2-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 59275396

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-5-(2-morpholin-4-ylethoxy)-1-benzofuran-3-carboxylic acid?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-5-(2-morpholin-4-ylethoxy)-1-benzofuran-3-carboxylic acid (CID 142773594) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-5-(2-morpholin-4-ylethoxy)-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-5-(2-morpholin-4-ylethoxy)-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-5-(2-morpholin-4-ylethoxy)-1-benzofuran-3-carboxylic acid is Cc1noc(C)c1-c1cc2oc(-c3ccc(F)cc3)c(C(=O)O)c2cc1OCCN1CCOCC1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-5-(2-morpholin-4-ylethoxy)-1-benzofuran-3-carboxylic acid?
The InChIKey is RAWJWEHJFUOHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O6/c1-15-23(16(2)35-28-15)19-14-22-20(13-21(19)33-12-9-29-7-10-32-11-8-29)24(26(30)31)25(34-22)17-3-5-18(27)6-4-17/h3-6,13-14H,7-12H2,1-2H3,(H,30,31).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-5-(2-morpholin-4-ylethoxy)-1-benzofuran-3-carboxylic acid?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-5-(2-morpholin-4-ylethoxy)-1-benzofuran-3-carboxylic acid has a molecular weight of 480.49 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-5-(2-morpholin-4-ylethoxy)-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 142773594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).