2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide

C19H20N2O2 — CID 9206772

IUPAC2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(NC(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C19H20N2O2/c1-2-3-6-14-9-11-15(12-10-14)20-19(22)13-17-16-7-4-5-8-18(16)23-21-17/h4-5,7-12H,2-3,6,13H2,1H3,(H,20,22)
InChIKeyPOSZQVBLKPIYSW-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.35
Rot. Bonds6

About 2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide (PubChem CID 9206772) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide
PubChem CID9206772
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(NC(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C19H20N2O2/c1-2-3-6-14-9-11-15(12-10-14)20-19(22)13-17-16-7-4-5-8-18(16)23-21-17/h4-5,7-12H,2-3,6,13H2,1H3,(H,20,22)
InChIKeyPOSZQVBLKPIYSW-UHFFFAOYSA-N
XLogP4.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 9180265
2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32605703
N-(4-butylphenyl)-2-naphthalen-1-ylacetamide
CID 7314094
2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 64781445
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690
2-(1,2-benzoxazol-3-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 9210932
2-(1,2-benzoxazol-3-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 49423848
N-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide
CID 71890231
2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162626547
2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide
CID 51217571
N-(4-butylphenyl)-2-(2-fluorophenyl)acetamide
CID 100635724
N-(3-acetamido-4-methoxyphenyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 33310841

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide (CID 9206772) is 2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide is CCCCc1ccc(NC(=O)Cc2noc3ccccc23)cc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide?
The InChIKey is POSZQVBLKPIYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-3-6-14-9-11-15(12-10-14)20-19(22)13-17-16-7-4-5-8-18(16)23-21-17/h4-5,7-12H,2-3,6,13H2,1H3,(H,20,22).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide has a molecular weight of 308.38 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide is sourced from PubChem (CID 9206772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).