2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methoxybenzamide

C13H15N3O3 — CID 115413411

IUPAC2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2onc(C)c2C)c(N)c1
InChIInChI=1S/C13H15N3O3/c1-7-8(2)16-19-13(7)15-12(17)10-5-4-9(18-3)6-11(10)14/h4-6H,14H2,1-3H3,(H,15,17)
InChIKeyOFFMHYYJLZBHEP-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.13
Rot. Bonds3

About 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methoxybenzamide

2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methoxybenzamide (PubChem CID 115413411) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methoxybenzamide
PubChem CID115413411
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2onc(C)c2C)c(N)c1
InChIInChI=1S/C13H15N3O3/c1-7-8(2)16-19-13(7)15-12(17)10-5-4-9(18-3)6-11(10)14/h4-6H,14H2,1-3H3,(H,15,17)
InChIKeyOFFMHYYJLZBHEP-UHFFFAOYSA-N
XLogP2.13
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide
CID 65486415
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 113386525
3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-carboxamide
CID 65488511
2-amino-4-methoxy-N-pyrimidin-5-ylbenzamide
CID 107588666
2-amino-4-methoxy-N-(2-methylpyrazol-3-yl)benzamide
CID 113305163
2-amino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 82547001
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
CID 65488700
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
2-amino-4-methoxy-N-pyrazin-2-ylbenzamide
CID 113305136
2-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide
CID 80504227
2-amino-N-(2,6-dichlorophenyl)-4-methoxybenzamide
CID 110451620

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methoxybenzamide?
The IUPAC name of 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methoxybenzamide (CID 115413411) is 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2onc(C)c2C)c(N)c1.
What is the InChIKey of 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methoxybenzamide?
The InChIKey is OFFMHYYJLZBHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-7-8(2)16-19-13(7)15-12(17)10-5-4-9(18-3)6-11(10)14/h4-6H,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methoxybenzamide?
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methoxybenzamide has a molecular weight of 261.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methoxybenzamide is sourced from PubChem (CID 115413411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).