4-[[4-(5-methoxy-2-pyridinyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid

C19H17NO5 — CID 18444556

IUPAC4-[[4-(5-methoxy-2-pyridinyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid
SMILESCOc1ccc(-c2ccc(OCc3cc(C(=O)O)oc3C)cc2)nc1
InChIInChI=1S/C19H17NO5/c1-12-14(9-18(25-12)19(21)22)11-24-15-5-3-13(4-6-15)17-8-7-16(23-2)10-20-17/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyOWOSQIZIJWIJDC-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.94
Rot. Bonds6

About 4-[[4-(5-methoxy-2-pyridinyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid

4-[[4-(5-methoxy-2-pyridinyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid (PubChem CID 18444556) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 4-[[4-(5-methoxy-2-pyridinyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(5-methoxy-2-pyridinyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid
PubChem CID18444556
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name4-[[4-(5-methoxy-2-pyridinyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid
SMILESCOc1ccc(-c2ccc(OCc3cc(C(=O)O)oc3C)cc2)nc1
InChIInChI=1S/C19H17NO5/c1-12-14(9-18(25-12)19(21)22)11-24-15-5-3-13(4-6-15)17-8-7-16(23-2)10-20-17/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyOWOSQIZIJWIJDC-UHFFFAOYSA-N
XLogP3.94
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'furan_acid_A(4)', 'substructure': 'N/A'}

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Related Compounds

5-(4-Ethoxy-phenoxymethyl)-furan-2-carboxylic acid pyridin-2-ylmethyl ester
CID 653780
5-(Naphthalen-2-yloxymethyl)-furan-2-carboxylic acid pyridin-2-ylmethyl ester
CID 1084340
2-((6-(2-(5-Methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-3-yl)methyl)-tetrahydrofuran-2-carboxylic acid
CID 11165712
2-Methoxy-3-(6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-3-yl)propanoic acid
CID 11199906
2-Methoxy-2-methyl-3-(6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-3-yl)propanoic acid
CID 11234869
2-Methoxy-2-methyl-3-(5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-2-yl)propanoic acid
CID 11463604
2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-3-yl)methyl)-tetrahydro-2H-pyran-2-carboxylic acid
CID 11464352
2-((6-(2-(2-(3-Methoxyphenyl)-5-methyloxazol-4-yl)ethoxy)pyridin-3-yl)methyl)-tetrahydrofuran-2-carboxylic acid
CID 11476137
2-((5-(2-(5-Methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-2-yl)methyl)-tetrahydrofuran-2-carboxylic acid
CID 11774184
2-((6-(2-(2-(4-Methoxyphenyl)-5-methyloxazol-4-yl)ethoxy)pyridin-3-yl)methyl)-tetrahydrofuran-2-carboxylic acid
CID 44419760
2-Ethoxy-3-(6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-3-yl)propanoic acid
CID 44419776
2-Ethoxy-3-(5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-2-yl)propanoic acid
CID 44419783

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-methoxy-2-pyridinyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[[4-(5-methoxy-2-pyridinyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid (CID 18444556) is 4-[[4-(5-methoxy-2-pyridinyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[[4-(5-methoxy-2-pyridinyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[[4-(5-methoxy-2-pyridinyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid is COc1ccc(-c2ccc(OCc3cc(C(=O)O)oc3C)cc2)nc1.
What is the InChIKey of 4-[[4-(5-methoxy-2-pyridinyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is OWOSQIZIJWIJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-12-14(9-18(25-12)19(21)22)11-24-15-5-3-13(4-6-15)17-8-7-16(23-2)10-20-17/h3-10H,11H2,1-2H3,(H,21,22).
What are the key properties of 4-[[4-(5-methoxy-2-pyridinyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid?
4-[[4-(5-methoxy-2-pyridinyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 339.35 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-methoxy-2-pyridinyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 18444556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).