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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Related Compounds

2-(Aminomethyl)-5-phenyl-3-furancarboxylic acid
CID 687980
(+/-)-threo-N-(2-Methylfuran)methylphenidate
CID 52947085
Ethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate
CID 38727
2-Diethylaminomethyl-5-phenyl-furan-3-carboxylic acid
CID 844978
2-Piperidin-1-ylmethyl-furan-3-carboxylic acid hydrochloride
CID 2921000
Methyl 4-(5-(((2-hydroxy-2-phenylethyl)amino)methyl)furan-2-yl)benzoate hydrochloride
CID 6602747
S07-2005 (racemic)
CID 119222427
2-[5-[(Piperidin-4-ylmethylamino)methyl]furan-2-yl]phenol
CID 145985056
Ethyl 5-methoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate
CID 42023
Ethyl 5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate
CID 627401
Cambridge id 7294040
CID 6603658
2-Methyl-5-morpholin-4-ylmethyl-furan-3-carboxylic acid
CID 586928

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).