N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide

C16H14N2O2 — CID 17100800

IUPACN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3ccc(C)cc3o2)cc1
InChIInChI=1S/C16H14N2O2/c1-10-3-8-14-15(9-10)20-16(18-14)12-4-6-13(7-5-12)17-11(2)19/h3-9H,1-2H3,(H,17,19)
InChIKeyMLXYLGMMBMZDBO-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.76
Rot. Bonds2

About N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide

N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide (PubChem CID 17100800) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
PubChem CID17100800
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3ccc(C)cc3o2)cc1
InChIInChI=1S/C16H14N2O2/c1-10-3-8-14-15(9-10)20-16(18-14)12-4-6-13(7-5-12)17-11(2)19/h3-9H,1-2H3,(H,17,19)
InChIKeyMLXYLGMMBMZDBO-UHFFFAOYSA-N
XLogP3.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N,N'-bis[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]but-2-enediamide
CID 101118961
2,3,4,5,6-pentafluoro-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 3363557
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-diphenylacetamide
CID 4244780
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
2-(3,5-dimethylphenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17027171
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 3100050
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide
CID 3632936
3,5-diethoxy-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 1363581
2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17131987
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 17018342
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
3,6-dichloro-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 3898715

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide (CID 17100800) is N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2nc3ccc(C)cc3o2)cc1.
What is the InChIKey of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The InChIKey is MLXYLGMMBMZDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-3-8-14-15(9-10)20-16(18-14)12-4-6-13(7-5-12)17-11(2)19/h3-9H,1-2H3,(H,17,19).
What are the key properties of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide has a molecular weight of 266.30 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 17100800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).