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

C12H13N3O2 — CID 66156908

IUPACN-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(N)c2)no1
InChIInChI=1S/C12H13N3O2/c1-7-3-4-9(6-10(7)13)14-12(16)11-5-8(2)17-15-11/h3-6H,13H2,1-2H3,(H,14,16)
InChIKeyVOJOKWBKMUURPX-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.13
Rot. Bonds2

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

N-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 66156908) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID66156908
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(N)c2)no1
InChIInChI=1S/C12H13N3O2/c1-7-3-4-9(6-10(7)13)14-12(16)11-5-8(2)17-15-11/h3-6H,13H2,1-2H3,(H,14,16)
InChIKeyVOJOKWBKMUURPX-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

5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
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)pyridine-2-carboxamide
CID 24707912
N-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 3073016
N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199836
2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 28777043
N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide
CID 62958589
N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 4078365
2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 61398577
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862
N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2470130
N-[4-(cyclopropylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51299884

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 66156908) is N-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(C)c(N)c2)no1.
What is the InChIKey of N-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is VOJOKWBKMUURPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7-3-4-9(6-10(7)13)14-12(16)11-5-8(2)17-15-11/h3-6H,13H2,1-2H3,(H,14,16).
What are the key properties of N-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(3-amino-4-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-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66156908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).