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

C11H10ClN3O2 — CID 55032492

IUPACN-(2-amino-6-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1c(N)cccc1Cl
InChIInChI=1S/C11H10ClN3O2/c1-6-7(5-14-17-6)11(16)15-10-8(12)3-2-4-9(10)13/h2-5H,13H2,1H3,(H,15,16)
InChIKeyDCURVHJYAPSEIY-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.47
Rot. Bonds2

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

N-(2-amino-6-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 55032492) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is N-(2-amino-6-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID55032492
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC NameN-(2-amino-6-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1c(N)cccc1Cl
InChIInChI=1S/C11H10ClN3O2/c1-6-7(5-14-17-6)11(16)15-10-8(12)3-2-4-9(10)13/h2-5H,13H2,1H3,(H,15,16)
InChIKeyDCURVHJYAPSEIY-UHFFFAOYSA-N
XLogP2.47
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.47
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-(4-amino-2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 16775776
N-(2-amino-6-chlorophenyl)-2-methylbenzamide
CID 62084781
N-(2-amino-6-chlorophenyl)-3-hydroxy-2-methylbenzamide
CID 82827421
4-amino-N-(2,6-dichlorophenyl)-6-methylpyridine-3-carboxamide
CID 81245380
N-(2-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64787357
2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 19439718
N-(2-amino-6-chlorophenyl)-2-methylpyrazole-3-carboxamide
CID 55130611
N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64788102
5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 850304
N-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide
CID 62086045
N-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 16773048
N-(2-amino-6-chlorophenyl)-4-tert-butylbenzamide
CID 62083724

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-amino-6-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 55032492) is N-(2-amino-6-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-6-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-amino-6-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1c(N)cccc1Cl.
What is the InChIKey of N-(2-amino-6-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is DCURVHJYAPSEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-6-7(5-14-17-6)11(16)15-10-8(12)3-2-4-9(10)13/h2-5H,13H2,1H3,(H,15,16).
What are the key properties of N-(2-amino-6-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(2-amino-6-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 251.67 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 55032492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).