2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide

C22H26N4O3 — CID 38449520

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H26N4O3/c27-21(17-26-19-9-4-5-10-20(19)29-22(26)28)23-11-6-12-24-13-15-25(16-14-24)18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,23,27)
InChIKeyMEMBPBSCBJMUGX-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.92
Rot. Bonds7

About 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide (PubChem CID 38449520) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
PubChem CID38449520
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H26N4O3/c27-21(17-26-19-9-4-5-10-20(19)29-22(26)28)23-11-6-12-24-13-15-25(16-14-24)18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,23,27)
InChIKeyMEMBPBSCBJMUGX-UHFFFAOYSA-N
XLogP1.92
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.92
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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Related Compounds

3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one
CID 122367613
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 46295505
N-(4-morpholin-4-ylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 47041811
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 111429592
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
CID 90522652
N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 107299698
N-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4244209
3-[5-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperazin-1-yl]pentyl]-1,3-benzoxazol-2-one
CID 58511876
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508
2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901944

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide (CID 38449520) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide is O=C(Cn1c(=O)oc2ccccc21)NCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The InChIKey is MEMBPBSCBJMUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-21(17-26-19-9-4-5-10-20(19)29-22(26)28)23-11-6-12-24-13-15-25(16-14-24)18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,23,27).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide has a molecular weight of 394.48 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 38449520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).