N-(furan-2-ylmethyl)-4-indazol-1-yl-4-oxobutanamide

C16H15N3O3 — CID 22510453

IUPACN-(furan-2-ylmethyl)-4-indazol-1-yl-4-oxobutanamide
SMILESO=C(CCC(=O)n1ncc2ccccc21)NCc1ccco1
InChIInChI=1S/C16H15N3O3/c20-15(17-11-13-5-3-9-22-13)7-8-16(21)19-14-6-2-1-4-12(14)10-18-19/h1-6,9-10H,7-8,11H2,(H,17,20)
InChIKeyMWOCJAYBNIYOKW-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.37
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-indazol-1-yl-4-oxobutanamide

N-(furan-2-ylmethyl)-4-indazol-1-yl-4-oxobutanamide (PubChem CID 22510453) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-indazol-1-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-indazol-1-yl-4-oxobutanamide
PubChem CID22510453
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-(furan-2-ylmethyl)-4-indazol-1-yl-4-oxobutanamide
SMILESO=C(CCC(=O)n1ncc2ccccc21)NCc1ccco1
InChIInChI=1S/C16H15N3O3/c20-15(17-11-13-5-3-9-22-13)7-8-16(21)19-14-6-2-1-4-12(14)10-18-19/h1-6,9-10H,7-8,11H2,(H,17,20)
InChIKeyMWOCJAYBNIYOKW-UHFFFAOYSA-N
XLogP2.37
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-indazol-1-yl-4-oxobutanamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-indazol-1-yl-4-oxobutanamide (CID 22510453) is N-(furan-2-ylmethyl)-4-indazol-1-yl-4-oxobutanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-indazol-1-yl-4-oxobutanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-indazol-1-yl-4-oxobutanamide is O=C(CCC(=O)n1ncc2ccccc21)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-indazol-1-yl-4-oxobutanamide?
The InChIKey is MWOCJAYBNIYOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-15(17-11-13-5-3-9-22-13)7-8-16(21)19-14-6-2-1-4-12(14)10-18-19/h1-6,9-10H,7-8,11H2,(H,17,20).
What are the key properties of N-(furan-2-ylmethyl)-4-indazol-1-yl-4-oxobutanamide?
N-(furan-2-ylmethyl)-4-indazol-1-yl-4-oxobutanamide has a molecular weight of 297.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-indazol-1-yl-4-oxobutanamide is sourced from PubChem (CID 22510453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).