2-amino-3,5-dimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide

C14H17N3O4 — CID 115950623

IUPAC2-amino-3,5-dimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCOc1cc(OC)c(N)c(C(=O)NCc2cc(C)on2)c1
InChIInChI=1S/C14H17N3O4/c1-8-4-9(17-21-8)7-16-14(18)11-5-10(19-2)6-12(20-3)13(11)15/h4-6H,7,15H2,1-3H3,(H,16,18)
InChIKeyBBAGFEXJOBEJBX-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.51
Rot. Bonds5

About 2-amino-3,5-dimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide

2-amino-3,5-dimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (PubChem CID 115950623) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-amino-3,5-dimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-3,5-dimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
PubChem CID115950623
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-amino-3,5-dimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCOc1cc(OC)c(N)c(C(=O)NCc2cc(C)on2)c1
InChIInChI=1S/C14H17N3O4/c1-8-4-9(17-21-8)7-16-14(18)11-5-10(19-2)6-12(20-3)13(11)15/h4-6H,7,15H2,1-3H3,(H,16,18)
InChIKeyBBAGFEXJOBEJBX-UHFFFAOYSA-N
XLogP1.51
TPSA99.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-3,5-dimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-ethyl-3,5-dimethoxybenzamide
CID 112606069
4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 89340281
3,4,5-trimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728397
2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide
CID 114266909
2-amino-N-butyl-3,5-dimethoxybenzamide
CID 112606080
2-amino-4-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 63110385
5-amino-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide
CID 115330671
2-amino-4-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79722571
2,4-dimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867492
5-fluoro-2-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79524592
3-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-nitrobenzamide
CID 115548682
2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide
CID 115677738

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The IUPAC name of 2-amino-3,5-dimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (CID 115950623) is 2-amino-3,5-dimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-3,5-dimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-amino-3,5-dimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is COc1cc(OC)c(N)c(C(=O)NCc2cc(C)on2)c1.
What is the InChIKey of 2-amino-3,5-dimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The InChIKey is BBAGFEXJOBEJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-8-4-9(17-21-8)7-16-14(18)11-5-10(19-2)6-12(20-3)13(11)15/h4-6H,7,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-3,5-dimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
2-amino-3,5-dimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide has a molecular weight of 291.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is sourced from PubChem (CID 115950623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).