2-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide

C26H32N4O3 — CID 24791247

IUPAC2-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)c2ccc3oc(CCCc4ccccc4)nc3c2)CC1
InChIInChI=1S/C26H32N4O3/c1-19(2)27-24(31)18-29-13-15-30(16-14-29)26(32)21-11-12-23-22(17-21)28-25(33-23)10-6-9-20-7-4-3-5-8-20/h3-5,7-8,11-12,17,19H,6,9-10,13-16,18H2,1-2H3,(H,27,31)
InChIKeyZKVHIFHOZRHCDO-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.29
Rot. Bonds8

About 2-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 24791247) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID24791247
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name2-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)c2ccc3oc(CCCc4ccccc4)nc3c2)CC1
InChIInChI=1S/C26H32N4O3/c1-19(2)27-24(31)18-29-13-15-30(16-14-29)26(32)21-11-12-23-22(17-21)28-25(33-23)10-6-9-20-7-4-3-5-8-20/h3-5,7-8,11-12,17,19H,6,9-10,13-16,18H2,1-2H3,(H,27,31)
InChIKeyZKVHIFHOZRHCDO-UHFFFAOYSA-N
XLogP3.29
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 24791247) is 2-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(C(=O)c2ccc3oc(CCCc4ccccc4)nc3c2)CC1.
What is the InChIKey of 2-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is ZKVHIFHOZRHCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-19(2)27-24(31)18-29-13-15-30(16-14-29)26(32)21-11-12-23-22(17-21)28-25(33-23)10-6-9-20-7-4-3-5-8-20/h3-5,7-8,11-12,17,19H,6,9-10,13-16,18H2,1-2H3,(H,27,31).
What are the key properties of 2-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 448.57 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 24791247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).