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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Related Compounds

CID 165416442
CID 165416442
CID 24760614
CID 24760614
CID 59292071
CID 59292071
CID 71602723
CID 71602723
CID 71602768
CID 71602768
CID 71602771
CID 71602771
CID 71602818
CID 71602818
CID 130299743
CID 130299743
CID 130299745
CID 130299745
CID 130299749
CID 130299749
CID 130299890
CID 130299890
CID 130300062
CID 130300062

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).