N-(5-chloro-1,3-benzoxazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide

C17H15ClN2O3 — CID 22285687

IUPACN-(5-chloro-1,3-benzoxazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2nc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C17H15ClN2O3/c1-10-5-11(2)7-13(6-10)22-9-16(21)20-17-19-14-8-12(18)3-4-15(14)23-17/h3-8H,9H2,1-2H3,(H,19,20,21)
InChIKeyQZFGBVHLQYBUPO-UHFFFAOYSA-N
MW330.77 g/mol
LogP4.12
Rot. Bonds4

About N-(5-chloro-1,3-benzoxazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide

N-(5-chloro-1,3-benzoxazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 22285687) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is N-(5-chloro-1,3-benzoxazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-benzoxazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide
PubChem CID22285687
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC NameN-(5-chloro-1,3-benzoxazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2nc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C17H15ClN2O3/c1-10-5-11(2)7-13(6-10)22-9-16(21)20-17-19-14-8-12(18)3-4-15(14)23-17/h3-8H,9H2,1-2H3,(H,19,20,21)
InChIKeyQZFGBVHLQYBUPO-UHFFFAOYSA-N
XLogP4.12
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 23990283
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 23847828
N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 3996147
N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 7784194
2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1335782
2-(4-chlorophenoxy)-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43976699
2-(3,5-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858831
5-chloro-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoic acid
CID 2233863
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 46231324
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 46230595
2-(4-bromophenoxy)-N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858696
2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 23096495

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-benzoxazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(5-chloro-1,3-benzoxazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide (CID 22285687) is N-(5-chloro-1,3-benzoxazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-1,3-benzoxazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(5-chloro-1,3-benzoxazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide is Cc1cc(C)cc(OCC(=O)Nc2nc3cc(Cl)ccc3o2)c1.
What is the InChIKey of N-(5-chloro-1,3-benzoxazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is QZFGBVHLQYBUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-10-5-11(2)7-13(6-10)22-9-16(21)20-17-19-14-8-12(18)3-4-15(14)23-17/h3-8H,9H2,1-2H3,(H,19,20,21).
What are the key properties of N-(5-chloro-1,3-benzoxazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide?
N-(5-chloro-1,3-benzoxazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide has a molecular weight of 330.77 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-benzoxazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 22285687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).