N-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide

C12H13N3O2 — CID 3073016

IUPACN-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cccc2N)no1
InChIInChI=1S/C12H13N3O2/c1-7-4-3-5-9(13)11(7)14-12(16)10-6-8(2)17-15-10/h3-6H,13H2,1-2H3,(H,14,16)
InChIKeyZLIYHUBWUUXMCA-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.13
Rot. Bonds2

About N-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide

N-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 3073016) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID3073016
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cccc2N)no1
InChIInChI=1S/C12H13N3O2/c1-7-4-3-5-9(13)11(7)14-12(16)10-6-8(2)17-15-10/h3-6H,13H2,1-2H3,(H,14,16)
InChIKeyZLIYHUBWUUXMCA-UHFFFAOYSA-N
XLogP2.13
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.13
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-hydroxy-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 163522026
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
N-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66156908
N-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 3076174
N-(2-amino-6-methylphenyl)-3-chlorobenzamide
CID 43152332
N-(2,6-dimethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 3073010
N-(2,6-dimethylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109198250
N-(2-amino-6-methylphenyl)-2,4-dimethylbenzamide
CID 43330062
N-(2-amino-6-methylphenyl)-5-cyanopyridine-2-carboxamide
CID 63723338
N-(2,6-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109315385
N-(2-amino-6-methylphenyl)-5-chloro-2-hydroxybenzamide
CID 43330005
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 3073016) is N-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2c(C)cccc2N)no1.
What is the InChIKey of N-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZLIYHUBWUUXMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7-4-3-5-9(13)11(7)14-12(16)10-6-8(2)17-15-10/h3-6H,13H2,1-2H3,(H,14,16).
What are the key properties of N-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 2.13, 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-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3073016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).