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

C13H15N3O3 — CID 89340281

IUPAC4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cc(C)on2)ccc1N
InChIInChI=1S/C13H15N3O3/c1-8-5-10(16-19-8)7-15-13(17)9-3-4-11(14)12(6-9)18-2/h3-6H,7,14H2,1-2H3,(H,15,17)
InChIKeyAAVDXSFCUWXJMW-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.50
Rot. Bonds4

About 4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide

4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (PubChem CID 89340281) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
PubChem CID89340281
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cc(C)on2)ccc1N
InChIInChI=1S/C13H15N3O3/c1-8-5-10(16-19-8)7-15-13(17)9-3-4-11(14)12(6-9)18-2/h3-6H,7,14H2,1-2H3,(H,15,17)
InChIKeyAAVDXSFCUWXJMW-UHFFFAOYSA-N
XLogP1.50
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.50
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

3,4,5-trimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728397
3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47900987
6-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide
CID 62160023
2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide
CID 55041801
2-amino-3,5-dimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 115950623
3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79466321
3-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 113447693
3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47404576
6-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide
CID 66464919
4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 80994028
4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide
CID 104782310
4-amino-3-methoxy-N-propylbenzamide
CID 67095444

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The IUPAC name of 4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (CID 89340281) is 4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is COc1cc(C(=O)NCc2cc(C)on2)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The InChIKey is AAVDXSFCUWXJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-5-10(16-19-8)7-15-13(17)9-3-4-11(14)12(6-9)18-2/h3-6H,7,14H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide has a molecular weight of 261.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is sourced from PubChem (CID 89340281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).