5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid

C16H17NO4 — CID 56716837

IUPAC5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(CN3CCOCC3)c2)o1
InChIInChI=1S/C16H17NO4/c18-16(19)15-5-4-14(21-15)13-3-1-2-12(10-13)11-17-6-8-20-9-7-17/h1-5,10H,6-9,11H2,(H,18,19)
InChIKeySXVVOXZZZDMIHZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.48
Rot. Bonds4

About 5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid

5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid (PubChem CID 56716837) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid
PubChem CID56716837
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(CN3CCOCC3)c2)o1
InChIInChI=1S/C16H17NO4/c18-16(19)15-5-4-14(21-15)13-3-1-2-12(10-13)11-17-6-8-20-9-7-17/h1-5,10H,6-9,11H2,(H,18,19)
InChIKeySXVVOXZZZDMIHZ-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 ≤ 500287.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39226434
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 39226421
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
4-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1,4-oxazepan-6-ol
CID 70788847
[3-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 10891323
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid
CID 39219778
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-5-carboxylic acid
CID 39219781
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[3-(morpholin-4-ylmethyl)phenyl]thiophen-2-yl]ethanone
CID 171924705
methane;2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide
CID 158357127
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484

Frequently Asked Questions

What is the IUPAC name of 5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid (CID 56716837) is 5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid is O=C(O)c1ccc(-c2cccc(CN3CCOCC3)c2)o1.
What is the InChIKey of 5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid?
The InChIKey is SXVVOXZZZDMIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c18-16(19)15-5-4-14(21-15)13-3-1-2-12(10-13)11-17-6-8-20-9-7-17/h1-5,10H,6-9,11H2,(H,18,19).
What are the key properties of 5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid?
5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid has a molecular weight of 287.32 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-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 56716837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).