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

C17H16N2O3 — CID 110729012

IUPACN-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3nc(C)oc3c2)cc1
InChIInChI=1S/C17H16N2O3/c1-11-3-6-14(7-4-11)21-10-17(20)19-13-5-8-15-16(9-13)22-12(2)18-15/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyUDZWFVIICSXPDF-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.46
Rot. Bonds4

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

N-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide (PubChem CID 110729012) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide
PubChem CID110729012
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3nc(C)oc3c2)cc1
InChIInChI=1S/C17H16N2O3/c1-11-3-6-14(7-4-11)21-10-17(20)19-13-5-8-15-16(9-13)22-12(2)18-15/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyUDZWFVIICSXPDF-UHFFFAOYSA-N
XLogP3.46
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 55571488
N-(2-methyl-1,3-benzoxazol-6-yl)-3-phenoxypropanamide
CID 110729007
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 17018342
2-(3,5-dimethylphenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17027171
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 25494068
3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 86924240
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 37040636
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
N-(3H-benzimidazol-5-yl)-2-(4-methylphenoxy)acetamide
CID 110724326
N-(6-acetamido-1,3-benzoxazol-2-yl)-2-(4-tert-butylphenoxy)acetamide
CID 40603845
5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid
CID 115163815

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide (CID 110729012) is N-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc3nc(C)oc3c2)cc1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide?
The InChIKey is UDZWFVIICSXPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-3-6-14(7-4-11)21-10-17(20)19-13-5-8-15-16(9-13)22-12(2)18-15/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide?
N-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide has a molecular weight of 296.33 g/mol, XLogP of 3.46, 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-6-yl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 110729012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).