N-cyclooctyl-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide

C24H28N2O2 — CID 53089402

IUPACN-cyclooctyl-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NC1CCCCCCC1)c1ccc2nc(CCc3ccccc3)oc2c1
InChIInChI=1S/C24H28N2O2/c27-24(25-20-11-7-2-1-3-8-12-20)19-14-15-21-22(17-19)28-23(26-21)16-13-18-9-5-4-6-10-18/h4-6,9-10,14-15,17,20H,1-3,7-8,11-13,16H2,(H,25,27)
InChIKeyDFCKNYGWMWYLPQ-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.46
Rot. Bonds5

About N-cyclooctyl-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide

N-cyclooctyl-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 53089402) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-cyclooctyl-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
PubChem CID53089402
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-cyclooctyl-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NC1CCCCCCC1)c1ccc2nc(CCc3ccccc3)oc2c1
InChIInChI=1S/C24H28N2O2/c27-24(25-20-11-7-2-1-3-8-12-20)19-14-15-21-22(17-19)28-23(26-21)16-13-18-9-5-4-6-10-18/h4-6,9-10,14-15,17,20H,1-3,7-8,11-13,16H2,(H,25,27)
InChIKeyDFCKNYGWMWYLPQ-UHFFFAOYSA-N
XLogP5.46
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide
CID 71843452
N-cyclopentyl-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089603
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 95074858
N-(4-ethylphenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089405
N-(3-fluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089407
2-[(3-chlorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide
CID 26335371
N-[2-(azepan-1-yl)ethyl]-2-benzyl-1,3-benzoxazole-6-carboxamide
CID 53089357
N-[(4R)-2,2-dimethyloxan-4-yl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide
CID 42094986
N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935
3-(2-aminoethyl)-N-cyclohexylbenzamide
CID 62591538
N-cyclohexyl-4-(2-pyridin-4-ylethyl)benzamide
CID 67802758
4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide
CID 50789505

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-cyclooctyl-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide (CID 53089402) is N-cyclooctyl-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-cyclooctyl-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-cyclooctyl-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide is O=C(NC1CCCCCCC1)c1ccc2nc(CCc3ccccc3)oc2c1.
What is the InChIKey of N-cyclooctyl-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is DFCKNYGWMWYLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-24(25-20-11-7-2-1-3-8-12-20)19-14-15-21-22(17-19)28-23(26-21)16-13-18-9-5-4-6-10-18/h4-6,9-10,14-15,17,20H,1-3,7-8,11-13,16H2,(H,25,27).
What are the key properties of N-cyclooctyl-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide?
N-cyclooctyl-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 53089402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).