1-[1-[2-(2-phenylethyl)-1,3-benzoxazole-5-carbonyl]piperidin-3-yl]ethanone

C23H24N2O3 — CID 24819507

IUPAC1-[1-[2-(2-phenylethyl)-1,3-benzoxazole-5-carbonyl]piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(C(=O)c2ccc3oc(CCc4ccccc4)nc3c2)C1
InChIInChI=1S/C23H24N2O3/c1-16(26)19-8-5-13-25(15-19)23(27)18-10-11-21-20(14-18)24-22(28-21)12-9-17-6-3-2-4-7-17/h2-4,6-7,10-11,14,19H,5,8-9,12-13,15H2,1H3
InChIKeyUIPTYESZPAQRKK-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.05
Rot. Bonds5

About 1-[1-[2-(2-phenylethyl)-1,3-benzoxazole-5-carbonyl]piperidin-3-yl]ethanone

1-[1-[2-(2-phenylethyl)-1,3-benzoxazole-5-carbonyl]piperidin-3-yl]ethanone (PubChem CID 24819507) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[1-[2-(2-phenylethyl)-1,3-benzoxazole-5-carbonyl]piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(2-phenylethyl)-1,3-benzoxazole-5-carbonyl]piperidin-3-yl]ethanone
PubChem CID24819507
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1-[1-[2-(2-phenylethyl)-1,3-benzoxazole-5-carbonyl]piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(C(=O)c2ccc3oc(CCc4ccccc4)nc3c2)C1
InChIInChI=1S/C23H24N2O3/c1-16(26)19-8-5-13-25(15-19)23(27)18-10-11-21-20(14-18)24-22(28-21)12-9-17-6-3-2-4-7-17/h2-4,6-7,10-11,14,19H,5,8-9,12-13,15H2,1H3
InChIKeyUIPTYESZPAQRKK-UHFFFAOYSA-N
XLogP4.05
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-phenylethyl)-1,3-benzoxazole-5-carbonyl]piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-[2-(2-phenylethyl)-1,3-benzoxazole-5-carbonyl]piperidin-3-yl]ethanone (CID 24819507) is 1-[1-[2-(2-phenylethyl)-1,3-benzoxazole-5-carbonyl]piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(2-phenylethyl)-1,3-benzoxazole-5-carbonyl]piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-[2-(2-phenylethyl)-1,3-benzoxazole-5-carbonyl]piperidin-3-yl]ethanone is CC(=O)C1CCCN(C(=O)c2ccc3oc(CCc4ccccc4)nc3c2)C1.
What is the InChIKey of 1-[1-[2-(2-phenylethyl)-1,3-benzoxazole-5-carbonyl]piperidin-3-yl]ethanone?
The InChIKey is UIPTYESZPAQRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16(26)19-8-5-13-25(15-19)23(27)18-10-11-21-20(14-18)24-22(28-21)12-9-17-6-3-2-4-7-17/h2-4,6-7,10-11,14,19H,5,8-9,12-13,15H2,1H3.
What are the key properties of 1-[1-[2-(2-phenylethyl)-1,3-benzoxazole-5-carbonyl]piperidin-3-yl]ethanone?
1-[1-[2-(2-phenylethyl)-1,3-benzoxazole-5-carbonyl]piperidin-3-yl]ethanone has a molecular weight of 376.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-phenylethyl)-1,3-benzoxazole-5-carbonyl]piperidin-3-yl]ethanone is sourced from PubChem (CID 24819507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).