2-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]acetic acid

C21H18N2O4 — CID 11428428

IUPAC2-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]acetic acid
SMILESO=C(O)COCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C21H18N2O4/c24-20(25)14-26-13-16-10-11-19(27-16)21-17-8-4-5-9-18(17)23(22-21)12-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,24,25)
InChIKeyAQUHUUZPBRZQQR-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.95
Rot. Bonds7

About 2-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]acetic acid

2-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]acetic acid (PubChem CID 11428428) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]acetic acid
PubChem CID11428428
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name2-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]acetic acid
SMILESO=C(O)COCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C21H18N2O4/c24-20(25)14-26-13-16-10-11-19(27-16)21-17-8-4-5-9-18(17)23(22-21)12-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,24,25)
InChIKeyAQUHUUZPBRZQQR-UHFFFAOYSA-N
XLogP3.95
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]acetic acid (CID 11428428) is 2-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]acetic acid is O=C(O)COCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.
What is the InChIKey of 2-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]acetic acid?
The InChIKey is AQUHUUZPBRZQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-20(25)14-26-13-16-10-11-19(27-16)21-17-8-4-5-9-18(17)23(22-21)12-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,24,25).
What are the key properties of 2-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]acetic acid?
2-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]acetic acid has a molecular weight of 362.39 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]acetic acid is sourced from PubChem (CID 11428428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).