N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide

C21H19FN4O4 — CID 70733722

IUPACN-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1nn(-c2ccc(F)cc2)c2cccc(N3CCOC3=O)c12)C1CCOC1
InChIInChI=1S/C21H19FN4O4/c22-14-4-6-15(7-5-14)26-17-3-1-2-16(25-9-11-30-21(25)28)18(17)19(24-26)23-20(27)13-8-10-29-12-13/h1-7,13H,8-12H2,(H,23,24,27)
InChIKeyCGBWZUUPRJACSV-UHFFFAOYSA-N
MW410.41 g/mol
LogP3.10
Rot. Bonds4

About N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide

N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide (PubChem CID 70733722) has the molecular formula C21H19FN4O4 and a molecular weight of 410.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide
PubChem CID70733722
Molecular FormulaC21H19FN4O4
Molecular Weight410.41 g/mol
Exact Mass410.14
IUPAC NameN-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1nn(-c2ccc(F)cc2)c2cccc(N3CCOC3=O)c12)C1CCOC1
InChIInChI=1S/C21H19FN4O4/c22-14-4-6-15(7-5-14)26-17-3-1-2-16(25-9-11-30-21(25)28)18(17)19(24-26)23-20(27)13-8-10-29-12-13/h1-7,13H,8-12H2,(H,23,24,27)
InChIKeyCGBWZUUPRJACSV-UHFFFAOYSA-N
XLogP3.10
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide (CID 70733722) is N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide is O=C(Nc1nn(-c2ccc(F)cc2)c2cccc(N3CCOC3=O)c12)C1CCOC1.
What is the InChIKey of N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide?
The InChIKey is CGBWZUUPRJACSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O4/c22-14-4-6-15(7-5-14)26-17-3-1-2-16(25-9-11-30-21(25)28)18(17)19(24-26)23-20(27)13-8-10-29-12-13/h1-7,13H,8-12H2,(H,23,24,27).
What are the key properties of N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide?
N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide has a molecular weight of 410.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 70733722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).