methyl 5-(1-phenylindazol-3-yl)furan-2-carboxylate

C19H14N2O3 — CID 11001656

IUPACmethyl 5-(1-phenylindazol-3-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2nn(-c3ccccc3)c3ccccc23)o1
InChIInChI=1S/C19H14N2O3/c1-23-19(22)17-12-11-16(24-17)18-14-9-5-6-10-15(14)21(20-18)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyINEPBFYAULNXSI-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.07
Rot. Bonds3

About methyl 5-(1-phenylindazol-3-yl)furan-2-carboxylate

methyl 5-(1-phenylindazol-3-yl)furan-2-carboxylate (PubChem CID 11001656) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is methyl 5-(1-phenylindazol-3-yl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-phenylindazol-3-yl)furan-2-carboxylate
PubChem CID11001656
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Namemethyl 5-(1-phenylindazol-3-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2nn(-c3ccccc3)c3ccccc23)o1
InChIInChI=1S/C19H14N2O3/c1-23-19(22)17-12-11-16(24-17)18-14-9-5-6-10-15(14)21(20-18)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyINEPBFYAULNXSI-UHFFFAOYSA-N
XLogP4.07
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-phenylindazol-3-yl)furan-2-carboxylate?
The IUPAC name of methyl 5-(1-phenylindazol-3-yl)furan-2-carboxylate (CID 11001656) is methyl 5-(1-phenylindazol-3-yl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(1-phenylindazol-3-yl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(1-phenylindazol-3-yl)furan-2-carboxylate is COC(=O)c1ccc(-c2nn(-c3ccccc3)c3ccccc23)o1.
What is the InChIKey of methyl 5-(1-phenylindazol-3-yl)furan-2-carboxylate?
The InChIKey is INEPBFYAULNXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-23-19(22)17-12-11-16(24-17)18-14-9-5-6-10-15(14)21(20-18)13-7-3-2-4-8-13/h2-12H,1H3.
What are the key properties of methyl 5-(1-phenylindazol-3-yl)furan-2-carboxylate?
methyl 5-(1-phenylindazol-3-yl)furan-2-carboxylate has a molecular weight of 318.33 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-phenylindazol-3-yl)furan-2-carboxylate is sourced from PubChem (CID 11001656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).