2-hydroxyethyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate

C21H18N2O4 — CID 22480359

IUPAC2-hydroxyethyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate
SMILESO=C(OCCO)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C21H18N2O4/c24-12-13-26-21(25)19-11-10-18(27-19)20-16-8-4-5-9-17(16)23(22-20)14-15-6-2-1-3-7-15/h1-11,24H,12-14H2
InChIKeyJNFNLCFXQPOEQX-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.49
Rot. Bonds6

About 2-hydroxyethyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate

2-hydroxyethyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate (PubChem CID 22480359) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-hydroxyethyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate
PubChem CID22480359
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name2-hydroxyethyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate
SMILESO=C(OCCO)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C21H18N2O4/c24-12-13-26-21(25)19-11-10-18(27-19)20-16-8-4-5-9-17(16)23(22-20)14-15-6-2-1-3-7-15/h1-11,24H,12-14H2
InChIKeyJNFNLCFXQPOEQX-UHFFFAOYSA-N
XLogP3.49
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate?
The IUPAC name of 2-hydroxyethyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate (CID 22480359) is 2-hydroxyethyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate?
The canonical SMILES for 2-hydroxyethyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate is O=C(OCCO)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.
What is the InChIKey of 2-hydroxyethyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate?
The InChIKey is JNFNLCFXQPOEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-12-13-26-21(25)19-11-10-18(27-19)20-16-8-4-5-9-17(16)23(22-20)14-15-6-2-1-3-7-15/h1-11,24H,12-14H2.
What are the key properties of 2-hydroxyethyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate?
2-hydroxyethyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate is sourced from PubChem (CID 22480359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).