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

C21H19FN4O4 — CID 95869753

IUPAC(3S)-N-[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)[C@H]1CCOC1
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)/t13-/m0/s1
InChIKeyCGBWZUUPRJACSV-ZDUSSCGKSA-N
MW410.41 g/mol
LogP3.10
Rot. Bonds4

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

(3S)-N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide (PubChem CID 95869753) has the molecular formula C21H19FN4O4 and a molecular weight of 410.41 g/mol. Its IUPAC name is (3S)-N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide
PubChem CID95869753
Molecular FormulaC21H19FN4O4
Molecular Weight410.41 g/mol
Exact Mass410.14
IUPAC Name(3S)-N-[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)[C@H]1CCOC1
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)/t13-/m0/s1
InChIKeyCGBWZUUPRJACSV-ZDUSSCGKSA-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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Related Compounds

N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide
CID 70733722
N-[1-(3-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide
CID 70727033
(3S)-N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]oxolane-3-carboxamide
CID 95894266
N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]-1H-pyrazole-5-carboxamide
CID 70716178
N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]-1,3-oxazole-4-carboxamide
CID 70782325
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]oxolane-3-carboxamide
CID 75921275
N-(6-fluoro-2-pyridinyl)oxolane-3-carboxamide
CID 104820866
(3R)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]oxolane-3-carboxamide
CID 95272394
N-[2-(2,3-dihydroindol-1-yl)phenyl]oxolane-3-carboxamide
CID 75921266
N-[2-(4-fluorophenyl)benzotriazol-5-yl]oxane-4-carboxamide
CID 163367306
N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)oxolane-3-carboxamide
CID 155915789
(3S)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-3-carboxamide
CID 81118205

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide (CID 95869753) is (3S)-N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-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)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide?
The InChIKey is CGBWZUUPRJACSV-ZDUSSCGKSA-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)/t13-/m0/s1.
What are the key properties of (3S)-N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide?
(3S)-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 (3S)-N-[1-(4-fluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)indazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 95869753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).