3-[5-(1,3-dioxol-2-yl)furan-2-yl]-1H-indazole

C14H10N2O3 — CID 141000395

IUPAC3-[5-(1,3-dioxol-2-yl)furan-2-yl]-1H-indazole
SMILESC1=COC(c2ccc(-c3n[nH]c4ccccc34)o2)O1
InChIInChI=1S/C14H10N2O3/c1-2-4-10-9(3-1)13(16-15-10)11-5-6-12(19-11)14-17-7-8-18-14/h1-8,14H,(H,15,16)
InChIKeyGXBVRLJMPFSRTD-UHFFFAOYSA-N
MW254.25 g/mol
LogP3.34
Rot. Bonds2

About 3-[5-(1,3-dioxol-2-yl)furan-2-yl]-1H-indazole

3-[5-(1,3-dioxol-2-yl)furan-2-yl]-1H-indazole (PubChem CID 141000395) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-[5-(1,3-dioxol-2-yl)furan-2-yl]-1H-indazole.

Molecular Properties

Compound Name3-[5-(1,3-dioxol-2-yl)furan-2-yl]-1H-indazole
PubChem CID141000395
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name3-[5-(1,3-dioxol-2-yl)furan-2-yl]-1H-indazole
SMILESC1=COC(c2ccc(-c3n[nH]c4ccccc34)o2)O1
InChIInChI=1S/C14H10N2O3/c1-2-4-10-9(3-1)13(16-15-10)11-5-6-12(19-11)14-17-7-8-18-14/h1-8,14H,(H,15,16)
InChIKeyGXBVRLJMPFSRTD-UHFFFAOYSA-N
XLogP3.34
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-(1,3-dioxol-2-yl)furan-2-yl]-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,3-dioxol-2-yl)furan-2-yl]-1H-indazole?
The IUPAC name of 3-[5-(1,3-dioxol-2-yl)furan-2-yl]-1H-indazole (CID 141000395) is 3-[5-(1,3-dioxol-2-yl)furan-2-yl]-1H-indazole.
What is the SMILES notation for 3-[5-(1,3-dioxol-2-yl)furan-2-yl]-1H-indazole?
The canonical SMILES for 3-[5-(1,3-dioxol-2-yl)furan-2-yl]-1H-indazole is C1=COC(c2ccc(-c3n[nH]c4ccccc34)o2)O1.
What is the InChIKey of 3-[5-(1,3-dioxol-2-yl)furan-2-yl]-1H-indazole?
The InChIKey is GXBVRLJMPFSRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-2-4-10-9(3-1)13(16-15-10)11-5-6-12(19-11)14-17-7-8-18-14/h1-8,14H,(H,15,16).
What are the key properties of 3-[5-(1,3-dioxol-2-yl)furan-2-yl]-1H-indazole?
3-[5-(1,3-dioxol-2-yl)furan-2-yl]-1H-indazole has a molecular weight of 254.25 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,3-dioxol-2-yl)furan-2-yl]-1H-indazole is sourced from PubChem (CID 141000395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).