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

C23H25N3O3 — CID 24790779

IUPAC1-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc3oc(CCCc4ccccc4)nc3c2)CC1
InChIInChI=1S/C23H25N3O3/c1-17(27)25-12-14-26(15-13-25)23(28)19-10-11-21-20(16-19)24-22(29-21)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-11,16H,5,8-9,12-15H2,1H3
InChIKeyFJFVULYWCONJHG-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.31
Rot. Bonds5

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

1-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]ethanone (PubChem CID 24790779) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]ethanone
PubChem CID24790779
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc3oc(CCCc4ccccc4)nc3c2)CC1
InChIInChI=1S/C23H25N3O3/c1-17(27)25-12-14-26(15-13-25)23(28)19-10-11-21-20(16-19)24-22(29-21)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-11,16H,5,8-9,12-15H2,1H3
InChIKeyFJFVULYWCONJHG-UHFFFAOYSA-N
XLogP3.31
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]ethanone (CID 24790779) is 1-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc3oc(CCCc4ccccc4)nc3c2)CC1.
What is the InChIKey of 1-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is FJFVULYWCONJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17(27)25-12-14-26(15-13-25)23(28)19-10-11-21-20(16-19)24-22(29-21)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-11,16H,5,8-9,12-15H2,1H3.
What are the key properties of 1-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]ethanone?
1-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 391.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 24790779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).