5-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)pentan-1-one

C22H25N3O3 — CID 10904975

IUPAC5-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)pentan-1-one
SMILESO=C(CCCCN1CCN(c2noc3ccccc23)CC1)c1ccccc1O
InChIInChI=1S/C22H25N3O3/c26-19-9-3-1-7-17(19)20(27)10-5-6-12-24-13-15-25(16-14-24)22-18-8-2-4-11-21(18)28-23-22/h1-4,7-9,11,26H,5-6,10,12-16H2
InChIKeySRHNYUXLRPKDLG-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.71
Rot. Bonds7

About 5-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)pentan-1-one

5-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)pentan-1-one (PubChem CID 10904975) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)pentan-1-one.

Molecular Properties

Compound Name5-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)pentan-1-one
PubChem CID10904975
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name5-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)pentan-1-one
SMILESO=C(CCCCN1CCN(c2noc3ccccc23)CC1)c1ccccc1O
InChIInChI=1S/C22H25N3O3/c26-19-9-3-1-7-17(19)20(27)10-5-6-12-24-13-15-25(16-14-24)22-18-8-2-4-11-21(18)28-23-22/h1-4,7-9,11,26H,5-6,10,12-16H2
InChIKeySRHNYUXLRPKDLG-UHFFFAOYSA-N
XLogP3.71
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)pentan-1-one?
The IUPAC name of 5-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)pentan-1-one (CID 10904975) is 5-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)pentan-1-one.
What is the SMILES notation for 5-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)pentan-1-one?
The canonical SMILES for 5-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)pentan-1-one is O=C(CCCCN1CCN(c2noc3ccccc23)CC1)c1ccccc1O.
What is the InChIKey of 5-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)pentan-1-one?
The InChIKey is SRHNYUXLRPKDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-19-9-3-1-7-17(19)20(27)10-5-6-12-24-13-15-25(16-14-24)22-18-8-2-4-11-21(18)28-23-22/h1-4,7-9,11,26H,5-6,10,12-16H2.
What are the key properties of 5-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)pentan-1-one?
5-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)pentan-1-one has a molecular weight of 379.46 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)pentan-1-one is sourced from PubChem (CID 10904975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).