2-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-4-piperazin-1-ylbenzamide

C19H18F2N4O2 — CID 90468803

IUPAC2-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-4-piperazin-1-ylbenzamide
SMILESCc1nc2c(F)cc(NC(=O)c3ccc(N4CCNCC4)cc3F)cc2o1
InChIInChI=1S/C19H18F2N4O2/c1-11-23-18-16(21)8-12(9-17(18)27-11)24-19(26)14-3-2-13(10-15(14)20)25-6-4-22-5-7-25/h2-3,8-10,22H,4-7H2,1H3,(H,24,26)
InChIKeyZWYDVEGLPZWOPF-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.08
Rot. Bonds3

About 2-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-4-piperazin-1-ylbenzamide

2-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-4-piperazin-1-ylbenzamide (PubChem CID 90468803) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-4-piperazin-1-ylbenzamide
PubChem CID90468803
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name2-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-4-piperazin-1-ylbenzamide
SMILESCc1nc2c(F)cc(NC(=O)c3ccc(N4CCNCC4)cc3F)cc2o1
InChIInChI=1S/C19H18F2N4O2/c1-11-23-18-16(21)8-12(9-17(18)27-11)24-19(26)14-3-2-13(10-15(14)20)25-6-4-22-5-7-25/h2-3,8-10,22H,4-7H2,1H3,(H,24,26)
InChIKeyZWYDVEGLPZWOPF-UHFFFAOYSA-N
XLogP3.08
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-4-piperazin-1-ylbenzamide?
The IUPAC name of 2-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-4-piperazin-1-ylbenzamide (CID 90468803) is 2-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-4-piperazin-1-ylbenzamide.
What is the SMILES notation for 2-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-4-piperazin-1-ylbenzamide?
The canonical SMILES for 2-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-4-piperazin-1-ylbenzamide is Cc1nc2c(F)cc(NC(=O)c3ccc(N4CCNCC4)cc3F)cc2o1.
What is the InChIKey of 2-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-4-piperazin-1-ylbenzamide?
The InChIKey is ZWYDVEGLPZWOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-11-23-18-16(21)8-12(9-17(18)27-11)24-19(26)14-3-2-13(10-15(14)20)25-6-4-22-5-7-25/h2-3,8-10,22H,4-7H2,1H3,(H,24,26).
What are the key properties of 2-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-4-piperazin-1-ylbenzamide?
2-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-4-piperazin-1-ylbenzamide has a molecular weight of 372.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 90468803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).