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

C16H15N3O2 — CID 62059208

IUPAC2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1ccc(N)c(C(=O)Nc2ccc3oc(C)nc3c2)c1
InChIInChI=1S/C16H15N3O2/c1-9-3-5-13(17)12(7-9)16(20)19-11-4-6-15-14(8-11)18-10(2)21-15/h3-8H,17H2,1-2H3,(H,19,20)
InChIKeyYLCFANAEWOXORH-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.28
Rot. Bonds2

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

2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 62059208) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
PubChem CID62059208
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1ccc(N)c(C(=O)Nc2ccc3oc(C)nc3c2)c1
InChIInChI=1S/C16H15N3O2/c1-9-3-5-13(17)12(7-9)16(20)19-11-4-6-15-14(8-11)18-10(2)21-15/h3-8H,17H2,1-2H3,(H,19,20)
InChIKeyYLCFANAEWOXORH-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

5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 61292124
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736
5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34749993
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 81225184
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
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-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625344
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361
4-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide
CID 112525549

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (CID 62059208) is 2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is Cc1ccc(N)c(C(=O)Nc2ccc3oc(C)nc3c2)c1.
What is the InChIKey of 2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is YLCFANAEWOXORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-9-3-5-13(17)12(7-9)16(20)19-11-4-6-15-14(8-11)18-10(2)21-15/h3-8H,17H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
2-amino-5-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 2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 62059208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).