2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide

C19H17FN4O4 — CID 24809576

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
SMILESO=C(Nc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17FN4O4/c20-12-1-4-14(5-2-12)23-7-9-24(10-8-23)18(26)17(25)21-13-3-6-15-16(11-13)28-19(27)22-15/h1-6,11H,7-10H2,(H,21,25)(H,22,27)
InChIKeyQUEYDMMADATDON-UHFFFAOYSA-N
MW384.37 g/mol
LogP1.55
Rot. Bonds2

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide

2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide (PubChem CID 24809576) has the molecular formula C19H17FN4O4 and a molecular weight of 384.37 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
PubChem CID24809576
Molecular FormulaC19H17FN4O4
Molecular Weight384.37 g/mol
Exact Mass384.12
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
SMILESO=C(Nc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17FN4O4/c20-12-1-4-14(5-2-12)23-7-9-24(10-8-23)18(26)17(25)21-13-3-6-15-16(11-13)28-19(27)22-15/h1-6,11H,7-10H2,(H,21,25)(H,22,27)
InChIKeyQUEYDMMADATDON-UHFFFAOYSA-N
XLogP1.55
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Radiprodil
CID 10200813
2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 57606427
2-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 57606583
2-(4-Benzyl-piperidin-1-yl)-2-oxo-N-(2-oxo-2,3-dihydro-benzooxazol-6-yl)-acetamide
CID 10134304
N-(2-ethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 893575
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 861149
2-[4-(4-Chloro-phenoxy)-piperidin-1-yl]-2-oxo-N-(2-oxo-2,3-dihydro-benzooxazol-6-yl)-acetamide
CID 10273343
3-[4-(4-phenyl-1-piperazinyl)butyl]-1,3-benzoxazol-2(3H)-one
CID 10521887
N-methyl-2-(2-oxo-5-phenoxy-1,3-benzoxazol-3(2H)-yl)-N-phenylacetamide
CID 23153804
2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 25257575
2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 25258025
2-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 25259177

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide (CID 24809576) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide is O=C(Nc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The InChIKey is QUEYDMMADATDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4/c20-12-1-4-14(5-2-12)23-7-9-24(10-8-23)18(26)17(25)21-13-3-6-15-16(11-13)28-19(27)22-15/h1-6,11H,7-10H2,(H,21,25)(H,22,27).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide has a molecular weight of 384.37 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide is sourced from PubChem (CID 24809576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).