2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxy-5-methylphenyl)acetamide

C18H18N2O3 — CID 108806164

IUPAC2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxy-5-methylphenyl)acetamide
SMILESCc1ccc(O)c(NC(=O)Cc2noc3c(C)cc(C)cc23)c1
InChIInChI=1S/C18H18N2O3/c1-10-4-5-16(21)15(8-10)19-17(22)9-14-13-7-11(2)6-12(3)18(13)23-20-14/h4-8,21H,9H2,1-3H3,(H,19,22)
InChIKeyFYPOEHVFLKNWCB-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.64
Rot. Bonds3

About 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxy-5-methylphenyl)acetamide

2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxy-5-methylphenyl)acetamide (PubChem CID 108806164) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxy-5-methylphenyl)acetamide
PubChem CID108806164
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxy-5-methylphenyl)acetamide
SMILESCc1ccc(O)c(NC(=O)Cc2noc3c(C)cc(C)cc23)c1
InChIInChI=1S/C18H18N2O3/c1-10-4-5-16(21)15(8-10)19-17(22)9-14-13-7-11(2)6-12(3)18(13)23-20-14/h4-8,21H,9H2,1-3H3,(H,19,22)
InChIKeyFYPOEHVFLKNWCB-UHFFFAOYSA-N
XLogP3.64
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxy-5-methylphenyl)acetamide 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-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-5-methylbenzoic acid
CID 108806265
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-iodophenyl)acetamide
CID 108794539
N-(4-bromophenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794442
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 108806118
N-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806192
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)acetamide
CID 108806273
3-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoic acid
CID 108794443
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2-methylphenyl)acetamide
CID 22519860
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 108794494
N-(2-methoxy-5-methylphenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519804
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806231
N-(4-bromo-2-fluorophenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108803279

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxy-5-methylphenyl)acetamide (CID 108806164) is 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxy-5-methylphenyl)acetamide is Cc1ccc(O)c(NC(=O)Cc2noc3c(C)cc(C)cc23)c1.
What is the InChIKey of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxy-5-methylphenyl)acetamide?
The InChIKey is FYPOEHVFLKNWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-10-4-5-16(21)15(8-10)19-17(22)9-14-13-7-11(2)6-12(3)18(13)23-20-14/h4-8,21H,9H2,1-3H3,(H,19,22).
What are the key properties of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxy-5-methylphenyl)acetamide?
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxy-5-methylphenyl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxy-5-methylphenyl)acetamide is sourced from PubChem (CID 108806164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).