5-[(3-carbamoylphenoxy)methyl]-2-methylfuran-3-carboxylic acid

C14H13NO5 — CID 43477198

IUPAC5-[(3-carbamoylphenoxy)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(COc2cccc(C(N)=O)c2)cc1C(=O)O
InChIInChI=1S/C14H13NO5/c1-8-12(14(17)18)6-11(20-8)7-19-10-4-2-3-9(5-10)13(15)16/h2-6H,7H2,1H3,(H2,15,16)(H,17,18)
InChIKeyBVZWKEULOWXIBY-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.96
Rot. Bonds5

About 5-[(3-carbamoylphenoxy)methyl]-2-methylfuran-3-carboxylic acid

5-[(3-carbamoylphenoxy)methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 43477198) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 5-[(3-carbamoylphenoxy)methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-carbamoylphenoxy)methyl]-2-methylfuran-3-carboxylic acid
PubChem CID43477198
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name5-[(3-carbamoylphenoxy)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(COc2cccc(C(N)=O)c2)cc1C(=O)O
InChIInChI=1S/C14H13NO5/c1-8-12(14(17)18)6-11(20-8)7-19-10-4-2-3-9(5-10)13(15)16/h2-6H,7H2,1H3,(H2,15,16)(H,17,18)
InChIKeyBVZWKEULOWXIBY-UHFFFAOYSA-N
XLogP1.96
TPSA102.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid
CID 43477174
3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide
CID 63575860
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
3-propoxybenzamide
CID 22311435
5-[(2-bromophenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 43476801
2-methyl-5-[(2-propoxyphenoxy)methyl]furan-3-carboxylic acid
CID 43477195
5-[(3-chloro-4-nitrophenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 62113250
5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 43477171
2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-carboxylic acid
CID 63647950
methyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate
CID 7705728
5-[(4-bromo-2-cyanophenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 83145413
3-(2-phenylethoxy)benzamide
CID 17135006

Frequently Asked Questions

What is the IUPAC name of 5-[(3-carbamoylphenoxy)methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[(3-carbamoylphenoxy)methyl]-2-methylfuran-3-carboxylic acid (CID 43477198) is 5-[(3-carbamoylphenoxy)methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(3-carbamoylphenoxy)methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(3-carbamoylphenoxy)methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(COc2cccc(C(N)=O)c2)cc1C(=O)O.
What is the InChIKey of 5-[(3-carbamoylphenoxy)methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is BVZWKEULOWXIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-8-12(14(17)18)6-11(20-8)7-19-10-4-2-3-9(5-10)13(15)16/h2-6H,7H2,1H3,(H2,15,16)(H,17,18).
What are the key properties of 5-[(3-carbamoylphenoxy)methyl]-2-methylfuran-3-carboxylic acid?
5-[(3-carbamoylphenoxy)methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-carbamoylphenoxy)methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 43477198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).