N-(4-amino-2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C11H9Cl2N3O2 — CID 16775776

IUPACN-(4-amino-2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H9Cl2N3O2/c1-5-7(4-15-18-5)11(17)16-10-8(12)2-6(14)3-9(10)13/h2-4H,14H2,1H3,(H,16,17)
InChIKeyWLOWCAYTPPGWEI-UHFFFAOYSA-N
MW286.12 g/mol
LogP3.12
Rot. Bonds2

About N-(4-amino-2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-(4-amino-2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 16775776) has the molecular formula C11H9Cl2N3O2 and a molecular weight of 286.12 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID16775776
Molecular FormulaC11H9Cl2N3O2
Molecular Weight286.12 g/mol
Exact Mass285.01
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H9Cl2N3O2/c1-5-7(4-15-18-5)11(17)16-10-8(12)2-6(14)3-9(10)13/h2-4H,14H2,1H3,(H,16,17)
InChIKeyWLOWCAYTPPGWEI-UHFFFAOYSA-N
XLogP3.12
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-6-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 55032492
N-(2-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64787357
N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64788102
2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 19439718
N-(4-amino-2,6-dichlorophenyl)-2,4-dimethylbenzamide
CID 16772418
N-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 23853374
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682635
N-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 16773048
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 62908038
N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19439747
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 19439782
N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 71393848

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 16775776) is N-(4-amino-2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is WLOWCAYTPPGWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2/c1-5-7(4-15-18-5)11(17)16-10-8(12)2-6(14)3-9(10)13/h2-4H,14H2,1H3,(H,16,17).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(4-amino-2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 286.12 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 16775776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).