5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1-benzofuran-2-carboxylic acid

C15H14N2O4 — CID 106373614

IUPAC5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1-benzofuran-2-carboxylic acid
SMILESCc1cnc(CNCc2ccc3oc(C(=O)O)cc3c2)o1
InChIInChI=1S/C15H14N2O4/c1-9-6-17-14(20-9)8-16-7-10-2-3-12-11(4-10)5-13(21-12)15(18)19/h2-6,16H,7-8H2,1H3,(H,18,19)
InChIKeyJNCGGZWXIYPZLW-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.72
Rot. Bonds5

About 5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1-benzofuran-2-carboxylic acid

5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1-benzofuran-2-carboxylic acid (PubChem CID 106373614) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1-benzofuran-2-carboxylic acid
PubChem CID106373614
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1-benzofuran-2-carboxylic acid
SMILESCc1cnc(CNCc2ccc3oc(C(=O)O)cc3c2)o1
InChIInChI=1S/C15H14N2O4/c1-9-6-17-14(20-9)8-16-7-10-2-3-12-11(4-10)5-13(21-12)15(18)19/h2-6,16H,7-8H2,1H3,(H,18,19)
InChIKeyJNCGGZWXIYPZLW-UHFFFAOYSA-N
XLogP2.72
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 106368573
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanamine
CID 103738795
5-[(1,2-oxazol-5-ylmethylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 106419864
5-[(furan-2-ylmethylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103235151
5-[(methoxyamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103254337
5-[(4-methylanilino)methyl]-1-benzofuran-2-carboxylic acid
CID 103234858
5-[[2-(diethylamino)ethylamino]methyl]-1-benzofuran-2-carboxylic acid
CID 103234103
5-[(2-methylsulfanylpropylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103265483
5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]-1-benzofuran-2-carboxylic acid
CID 103239119
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 106372016
2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid
CID 106373556
4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzonitrile
CID 113252142

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1-benzofuran-2-carboxylic acid (CID 106373614) is 5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1-benzofuran-2-carboxylic acid is Cc1cnc(CNCc2ccc3oc(C(=O)O)cc3c2)o1.
What is the InChIKey of 5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1-benzofuran-2-carboxylic acid?
The InChIKey is JNCGGZWXIYPZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9-6-17-14(20-9)8-16-7-10-2-3-12-11(4-10)5-13(21-12)15(18)19/h2-6,16H,7-8H2,1H3,(H,18,19).
What are the key properties of 5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1-benzofuran-2-carboxylic acid?
5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1-benzofuran-2-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 106373614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).