N-(4-amino-5-chloro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide

C12H12ClN3O2 — CID 113438958

IUPACN-(4-amino-5-chloro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)c1ocnc1C
InChIInChI=1S/C12H12ClN3O2/c1-6-3-9(14)8(13)4-10(6)16-12(17)11-7(2)15-5-18-11/h3-5H,14H2,1-2H3,(H,16,17)
InChIKeyFIOUPFSQFZROLW-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.78
Rot. Bonds2

About N-(4-amino-5-chloro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide

N-(4-amino-5-chloro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 113438958) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is N-(4-amino-5-chloro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-amino-5-chloro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID113438958
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC NameN-(4-amino-5-chloro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)c1ocnc1C
InChIInChI=1S/C12H12ClN3O2/c1-6-3-9(14)8(13)4-10(6)16-12(17)11-7(2)15-5-18-11/h3-5H,14H2,1-2H3,(H,16,17)
InChIKeyFIOUPFSQFZROLW-UHFFFAOYSA-N
XLogP2.78
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.78
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-(5-bromo-4-fluoro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 103278131
N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 113438955
N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide
CID 104667459
N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 104667498
N-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 102979254
N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide
CID 104667512
N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide
CID 113439119
N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide
CID 104667416
N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 104667397
N-(4-amino-5-chloro-2-methylphenyl)-4-bromo-2-methylbenzamide
CID 104667361
N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 113330185
N-(4-amino-5-chloro-2-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 104667390

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide (CID 113438958) is N-(4-amino-5-chloro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-amino-5-chloro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(4-amino-5-chloro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide is Cc1cc(N)c(Cl)cc1NC(=O)c1ocnc1C.
What is the InChIKey of N-(4-amino-5-chloro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is FIOUPFSQFZROLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-6-3-9(14)8(13)4-10(6)16-12(17)11-7(2)15-5-18-11/h3-5H,14H2,1-2H3,(H,16,17).
What are the key properties of N-(4-amino-5-chloro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide?
N-(4-amino-5-chloro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-chloro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 113438958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).