N-[(3-chlorophenyl)methyl]-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]indazole-6-carboxamide

C20H19ClN4O3 — CID 24760615

IUPACN-[(3-chlorophenyl)methyl]-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]indazole-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc2cn(CCN3CCOC3=O)nc2c1
InChIInChI=1S/C20H19ClN4O3/c21-17-3-1-2-14(10-17)12-22-19(26)15-4-5-16-13-25(23-18(16)11-15)7-6-24-8-9-28-20(24)27/h1-5,10-11,13H,6-9,12H2,(H,22,26)
InChIKeyLYJSWTWLSPWSOE-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.07
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]indazole-6-carboxamide

N-[(3-chlorophenyl)methyl]-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]indazole-6-carboxamide (PubChem CID 24760615) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]indazole-6-carboxamide
PubChem CID24760615
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]indazole-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc2cn(CCN3CCOC3=O)nc2c1
InChIInChI=1S/C20H19ClN4O3/c21-17-3-1-2-14(10-17)12-22-19(26)15-4-5-16-13-25(23-18(16)11-15)7-6-24-8-9-28-20(24)27/h1-5,10-11,13H,6-9,12H2,(H,22,26)
InChIKeyLYJSWTWLSPWSOE-UHFFFAOYSA-N
XLogP3.07
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]indazole-6-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]indazole-6-carboxamide (CID 24760615) is N-[(3-chlorophenyl)methyl]-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]indazole-6-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]indazole-6-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]indazole-6-carboxamide is O=C(NCc1cccc(Cl)c1)c1ccc2cn(CCN3CCOC3=O)nc2c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]indazole-6-carboxamide?
The InChIKey is LYJSWTWLSPWSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c21-17-3-1-2-14(10-17)12-22-19(26)15-4-5-16-13-25(23-18(16)11-15)7-6-24-8-9-28-20(24)27/h1-5,10-11,13H,6-9,12H2,(H,22,26).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]indazole-6-carboxamide?
N-[(3-chlorophenyl)methyl]-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]indazole-6-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]indazole-6-carboxamide is sourced from PubChem (CID 24760615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).