N-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxamide

C10H6Cl2N2O2 — CID 18587293

IUPACN-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccno1
InChIInChI=1S/C10H6Cl2N2O2/c11-6-2-1-3-7(9(6)12)14-10(15)8-4-5-13-16-8/h1-5H,(H,14,15)
InChIKeyRNNLTGRCWRJXPF-UHFFFAOYSA-N
MW257.08 g/mol
LogP3.23
Rot. Bonds2

About N-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxamide

N-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxamide (PubChem CID 18587293) has the molecular formula C10H6Cl2N2O2 and a molecular weight of 257.08 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxamide
PubChem CID18587293
Molecular FormulaC10H6Cl2N2O2
Molecular Weight257.08 g/mol
Exact Mass255.98
IUPAC NameN-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccno1
InChIInChI=1S/C10H6Cl2N2O2/c11-6-2-1-3-7(9(6)12)14-10(15)8-4-5-13-16-8/h1-5H,(H,14,15)
InChIKeyRNNLTGRCWRJXPF-UHFFFAOYSA-N
XLogP3.23
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Piperazine amide, 6f
CID 44236963
N-(3,5-dichlorophenyl)isoxazole-5-carboxamide
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CID 44191098
N-(4-chlorophenyl)isoxazole-5-carboxamide
CID 2744445
N-(4-fluorophenyl)isoxazole-5-carboxamide
CID 18587294
N-[(2-chlorophenyl)carbamoyl]-1,2-oxazole-5-carboxamide
CID 2744429
N-(3-Chlorophenyl)-3-methyl-5-isoxazolecarboxamide
CID 6622777
N-(4-nitrophenyl)isoxazole-5-carboxamide
CID 18587279
N-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]-1,2-oxazole-5-carboxamide
CID 69827107
US20240254109, Example 13A
CID 156340936
US20240254109, Example 15A
CID 156341235
N-(2,4-Difluorophenyl)-5-isoxazolecarboxamide
CID 44012250

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxamide (CID 18587293) is N-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxamide is O=C(Nc1cccc(Cl)c1Cl)c1ccno1.
What is the InChIKey of N-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is RNNLTGRCWRJXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2/c11-6-2-1-3-7(9(6)12)14-10(15)8-4-5-13-16-8/h1-5H,(H,14,15).
What are the key properties of N-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxamide?
N-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 257.08 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 18587293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).