4-(3-fluorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide

C16H17FN4O3 — CID 25095309

IUPAC4-(3-fluorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)no1
InChIInChI=1S/C16H17FN4O3/c1-11-9-14(19-24-11)18-16(23)21-7-5-20(6-8-21)15(22)12-3-2-4-13(17)10-12/h2-4,9-10H,5-8H2,1H3,(H,18,19,23)
InChIKeyLFQCZKMBVWLNRY-UHFFFAOYSA-N
MW332.34 g/mol
LogP2.11
Rot. Bonds2

About 4-(3-fluorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide

4-(3-fluorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (PubChem CID 25095309) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is 4-(3-fluorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-fluorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
PubChem CID25095309
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name4-(3-fluorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)no1
InChIInChI=1S/C16H17FN4O3/c1-11-9-14(19-24-11)18-16(23)21-7-5-20(6-8-21)15(22)12-3-2-4-13(17)10-12/h2-4,9-10H,5-8H2,1H3,(H,18,19,23)
InChIKeyLFQCZKMBVWLNRY-UHFFFAOYSA-N
XLogP2.11
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-fluorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (CID 25095309) is 4-(3-fluorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-fluorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-fluorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is Cc1cc(NC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)no1.
What is the InChIKey of 4-(3-fluorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The InChIKey is LFQCZKMBVWLNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c1-11-9-14(19-24-11)18-16(23)21-7-5-20(6-8-21)15(22)12-3-2-4-13(17)10-12/h2-4,9-10H,5-8H2,1H3,(H,18,19,23).
What are the key properties of 4-(3-fluorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
4-(3-fluorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide has a molecular weight of 332.34 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 25095309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).