5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid

C16H15NO5 — CID 163380318

IUPAC5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
SMILESCc1noc(C)c1COc1ccc2oc(C)c(C(=O)O)c2c1
InChIInChI=1S/C16H15NO5/c1-8-13(9(2)22-17-8)7-20-11-4-5-14-12(6-11)15(16(18)19)10(3)21-14/h4-6H,7H2,1-3H3,(H,18,19)
InChIKeyVPBFMOMHFXPYMD-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.62
Rot. Bonds4

About 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid

5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid (PubChem CID 163380318) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
PubChem CID163380318
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
SMILESCc1noc(C)c1COc1ccc2oc(C)c(C(=O)O)c2c1
InChIInChI=1S/C16H15NO5/c1-8-13(9(2)22-17-8)7-20-11-4-5-14-12(6-11)15(16(18)19)10(3)21-14/h4-6H,7H2,1-3H3,(H,18,19)
InChIKeyVPBFMOMHFXPYMD-UHFFFAOYSA-N
XLogP3.62
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,6-dichlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 988870
5-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163380571
2-methyl-5-[(6-methylpyridazin-3-yl)methoxy]-1-benzofuran-3-carboxylic acid
CID 163380674
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379316
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-hydroxybenzoic acid
CID 10264729
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methylbenzoic acid
CID 82165950
ethane;2-methyl-5-[(1-methylimidazol-2-yl)methoxy]-1-benzofuran-3-carboxylic acid
CID 163380236
5-[(3-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 979577
5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163379683
5-[(1S)-1-carboxyethoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 854526
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 31133084
5-[cyclopropyl(dideuterio)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 178129111

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid?
The IUPAC name of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid (CID 163380318) is 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid is Cc1noc(C)c1COc1ccc2oc(C)c(C(=O)O)c2c1.
What is the InChIKey of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid?
The InChIKey is VPBFMOMHFXPYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-8-13(9(2)22-17-8)7-20-11-4-5-14-12(6-11)15(16(18)19)10(3)21-14/h4-6H,7H2,1-3H3,(H,18,19).
What are the key properties of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid?
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 163380318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).