N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trimethylphenoxy)acetamide

C19H20N2O3 — CID 25494068

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2ccc3oc(C)nc3c2)c(C)c1
InChIInChI=1S/C19H20N2O3/c1-11-7-12(2)19(13(3)8-11)23-10-18(22)21-15-5-6-17-16(9-15)20-14(4)24-17/h5-9H,10H2,1-4H3,(H,21,22)
InChIKeyOYBRJFKLCMPUCL-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.08
Rot. Bonds4

About N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trimethylphenoxy)acetamide

N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 25494068) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID25494068
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2ccc3oc(C)nc3c2)c(C)c1
InChIInChI=1S/C19H20N2O3/c1-11-7-12(2)19(13(3)8-11)23-10-18(22)21-15-5-6-17-16(9-15)20-14(4)24-17/h5-9H,10H2,1-4H3,(H,21,22)
InChIKeyOYBRJFKLCMPUCL-UHFFFAOYSA-N
XLogP4.08
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 25466884
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604979
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide
CID 17163260
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 37040636
N-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 110729012
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
N-(4-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 877304
2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1335782
2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 23824736
2-(2,4-dimethylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
CID 1362324
N-(4-tert-butylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 7913902

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trimethylphenoxy)acetamide (CID 25494068) is N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)Nc2ccc3oc(C)nc3c2)c(C)c1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is OYBRJFKLCMPUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-11-7-12(2)19(13(3)8-11)23-10-18(22)21-15-5-6-17-16(9-15)20-14(4)24-17/h5-9H,10H2,1-4H3,(H,21,22).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trimethylphenoxy)acetamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 324.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 25494068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).