2-[4-(2-amino-5-fluoro-3-nitrobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H19FN6O5 — CID 55975422

IUPAC2-[4-(2-amino-5-fluoro-3-nitrobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC2)no1
InChIInChI=1S/C17H19FN6O5/c1-10-6-14(21-29-10)20-15(25)9-22-2-4-23(5-3-22)17(26)12-7-11(18)8-13(16(12)19)24(27)28/h6-8H,2-5,9,19H2,1H3,(H,20,21,25)
InChIKeyRTQFORIGOZUJHB-UHFFFAOYSA-N
MW406.37 g/mol
LogP1.01
Rot. Bonds5

About 2-[4-(2-amino-5-fluoro-3-nitrobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-(2-amino-5-fluoro-3-nitrobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 55975422) has the molecular formula C17H19FN6O5 and a molecular weight of 406.37 g/mol. Its IUPAC name is 2-[4-(2-amino-5-fluoro-3-nitrobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-amino-5-fluoro-3-nitrobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID55975422
Molecular FormulaC17H19FN6O5
Molecular Weight406.37 g/mol
Exact Mass406.14
IUPAC Name2-[4-(2-amino-5-fluoro-3-nitrobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC2)no1
InChIInChI=1S/C17H19FN6O5/c1-10-6-14(21-29-10)20-15(25)9-22-2-4-23(5-3-22)17(26)12-7-11(18)8-13(16(12)19)24(27)28/h6-8H,2-5,9,19H2,1H3,(H,20,21,25)
InChIKeyRTQFORIGOZUJHB-UHFFFAOYSA-N
XLogP1.01
TPSA147.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-amino-5-fluoro-3-nitrobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 52669343
2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 25485414
2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33300424
2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
2-[4-(2-fluoro-6-nitrophenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47075567
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(3-methylpiperidin-1-yl)-3-nitrobenzoyl]piperazin-1-yl]acetamide
CID 24572890
(2-amino-5-fluoro-3-nitrophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544910
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36855004
2-[4-(6-amino-5-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 126767599
2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60541564
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 52542227
2-[4-[4-(difluoromethylsulfanyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24620104

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-5-fluoro-3-nitrobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-(2-amino-5-fluoro-3-nitrobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 55975422) is 2-[4-(2-amino-5-fluoro-3-nitrobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(2-amino-5-fluoro-3-nitrobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(2-amino-5-fluoro-3-nitrobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC2)no1.
What is the InChIKey of 2-[4-(2-amino-5-fluoro-3-nitrobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is RTQFORIGOZUJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O5/c1-10-6-14(21-29-10)20-15(25)9-22-2-4-23(5-3-22)17(26)12-7-11(18)8-13(16(12)19)24(27)28/h6-8H,2-5,9,19H2,1H3,(H,20,21,25).
What are the key properties of 2-[4-(2-amino-5-fluoro-3-nitrobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-(2-amino-5-fluoro-3-nitrobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 406.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-5-fluoro-3-nitrobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 55975422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).