5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylic acid

C16H17NO4 — CID 672004

IUPAC5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCOCC2)oc1-c1ccccc1
InChIInChI=1S/C16H17NO4/c18-16(19)14-10-13(11-17-6-8-20-9-7-17)21-15(14)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,18,19)
InChIKeyTZCXERGABXFMRV-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.48
Rot. Bonds4

About 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylic acid

5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylic acid (PubChem CID 672004) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylic acid
PubChem CID672004
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCOCC2)oc1-c1ccccc1
InChIInChI=1S/C16H17NO4/c18-16(19)14-10-13(11-17-6-8-20-9-7-17)21-15(14)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,18,19)
InChIKeyTZCXERGABXFMRV-UHFFFAOYSA-N
XLogP2.48
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylic acid?
The IUPAC name of 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylic acid (CID 672004) is 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylic acid.
What is the SMILES notation for 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylic acid?
The canonical SMILES for 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylic acid is O=C(O)c1cc(CN2CCOCC2)oc1-c1ccccc1.
What is the InChIKey of 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylic acid?
The InChIKey is TZCXERGABXFMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c18-16(19)14-10-13(11-17-6-8-20-9-7-17)21-15(14)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,18,19).
What are the key properties of 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylic acid?
5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylic acid has a molecular weight of 287.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylic acid is sourced from PubChem (CID 672004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).