N-[3-(dimethylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide

C15H17N3O3 — CID 131897206

IUPACN-[3-(dimethylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(=O)N(C)C)c2C)no1
InChIInChI=1S/C15H17N3O3/c1-9-8-13(17-21-9)14(19)16-12-7-5-6-11(10(12)2)15(20)18(3)4/h5-8H,1-4H3,(H,16,19)
InChIKeyMITRLJAWEZMJHP-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.25
Rot. Bonds3

About N-[3-(dimethylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[3-(dimethylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 131897206) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID131897206
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[3-(dimethylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(=O)N(C)C)c2C)no1
InChIInChI=1S/C15H17N3O3/c1-9-8-13(17-21-9)14(19)16-12-7-5-6-11(10(12)2)15(20)18(3)4/h5-8H,1-4H3,(H,16,19)
InChIKeyMITRLJAWEZMJHP-UHFFFAOYSA-N
XLogP2.25
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide
CID 17255520
N-[3-(dimethylcarbamoyl)-2-methylphenyl]quinoxaline-2-carboxamide
CID 131923245
N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 86931949
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
N-[3-(dimethylcarbamoyl)-2-methylphenyl]-6-methoxypyridine-3-carboxamide
CID 131900046
5-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 38999572
3-[[2-(2,6-dichlorophenyl)acetyl]amino]-N,N,2-trimethylbenzamide
CID 131902894
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51148639
N-(2-hydroxy-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 163522026
3-[(2,3-dimethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369167
N-(4-chloro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 103766897

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 131897206) is N-[3-(dimethylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(C(=O)N(C)C)c2C)no1.
What is the InChIKey of N-[3-(dimethylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is MITRLJAWEZMJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-8-13(17-21-9)14(19)16-12-7-5-6-11(10(12)2)15(20)18(3)4/h5-8H,1-4H3,(H,16,19).
What are the key properties of N-[3-(dimethylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[3-(dimethylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 131897206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).