2-(1-benzofuran-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid

C14H11NO5 — CID 114373802

IUPAC2-(1-benzofuran-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
SMILESCOCc1nc(-c2coc3ccccc23)oc1C(=O)O
InChIInChI=1S/C14H11NO5/c1-18-7-10-12(14(16)17)20-13(15-10)9-6-19-11-5-3-2-4-8(9)11/h2-6H,7H2,1H3,(H,16,17)
InChIKeyKDCADRQBXCRMQO-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.93
Rot. Bonds4

About 2-(1-benzofuran-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid

2-(1-benzofuran-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 114373802) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID114373802
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name2-(1-benzofuran-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
SMILESCOCc1nc(-c2coc3ccccc23)oc1C(=O)O
InChIInChI=1S/C14H11NO5/c1-18-7-10-12(14(16)17)20-13(15-10)9-6-19-11-5-3-2-4-8(9)11/h2-6H,7H2,1H3,(H,16,17)
InChIKeyKDCADRQBXCRMQO-UHFFFAOYSA-N
XLogP2.93
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373445
2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373828
2-(2,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373867
2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373797
4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid
CID 104842342
4-(methoxymethyl)-2-(2-methyl-4-nitrophenyl)-1,3-oxazole-5-carboxylic acid
CID 114373942
4-(methoxymethyl)-2-(5-methyl-2-nitrophenyl)-1,3-oxazole-5-carboxylic acid
CID 114373878
2-(2-bromo-6-fluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114561293
2-(3-chloro-4-methylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373845
4-(methoxymethyl)-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylic acid
CID 114373983
4-(methoxymethyl)-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid
CID 114374014
2-[3-(difluoromethoxy)phenyl]-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373848

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(1-benzofuran-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid (CID 114373802) is 2-(1-benzofuran-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-benzofuran-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(1-benzofuran-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid is COCc1nc(-c2coc3ccccc23)oc1C(=O)O.
What is the InChIKey of 2-(1-benzofuran-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is KDCADRQBXCRMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5/c1-18-7-10-12(14(16)17)20-13(15-10)9-6-19-11-5-3-2-4-8(9)11/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 2-(1-benzofuran-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
2-(1-benzofuran-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 273.24 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114373802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).