5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

C16H15N3O2 — CID 61292124

IUPAC5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3cc(N)ccc3C)ccc2o1
InChIInChI=1S/C16H15N3O2/c1-9-3-4-11(17)7-13(9)16(20)19-12-5-6-15-14(8-12)18-10(2)21-15/h3-8H,17H2,1-2H3,(H,19,20)
InChIKeyPEVGNMYQZKWMNK-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.28
Rot. Bonds2

About 5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 61292124) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
PubChem CID61292124
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3cc(N)ccc3C)ccc2o1
InChIInChI=1S/C16H15N3O2/c1-9-3-4-11(17)7-13(9)16(20)19-12-5-6-15-14(8-12)18-10(2)21-15/h3-8H,17H2,1-2H3,(H,19,20)
InChIKeyPEVGNMYQZKWMNK-UHFFFAOYSA-N
XLogP3.28
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.28
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

2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 62059208
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736
4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 166401291
4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 25474421
6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide
CID 37040651
1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea
CID 126141306
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 81225184
5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
CID 61291913
5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34749993
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (CID 61292124) is 5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is Cc1nc2cc(NC(=O)c3cc(N)ccc3C)ccc2o1.
What is the InChIKey of 5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is PEVGNMYQZKWMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-9-3-4-11(17)7-13(9)16(20)19-12-5-6-15-14(8-12)18-10(2)21-15/h3-8H,17H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 281.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 61292124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).