4-(4-ethylpiperazin-1-yl)-3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide

C18H23FN4O2 — CID 49081788

IUPAC4-(4-ethylpiperazin-1-yl)-3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCCN1CCN(c2ccc(C(=O)NCc3cc(C)no3)cc2F)CC1
InChIInChI=1S/C18H23FN4O2/c1-3-22-6-8-23(9-7-22)17-5-4-14(11-16(17)19)18(24)20-12-15-10-13(2)21-25-15/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,20,24)
InChIKeyZFBHNVHIJVAAJD-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.19
Rot. Bonds5

About 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide

4-(4-ethylpiperazin-1-yl)-3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide (PubChem CID 49081788) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
PubChem CID49081788
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name4-(4-ethylpiperazin-1-yl)-3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCCN1CCN(c2ccc(C(=O)NCc3cc(C)no3)cc2F)CC1
InChIInChI=1S/C18H23FN4O2/c1-3-22-6-8-23(9-7-22)17-5-4-14(11-16(17)19)18(24)20-12-15-10-13(2)21-25-15/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,20,24)
InChIKeyZFBHNVHIJVAAJD-UHFFFAOYSA-N
XLogP2.19
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide (CID 49081788) is 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide is CCN1CCN(c2ccc(C(=O)NCc3cc(C)no3)cc2F)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
The InChIKey is ZFBHNVHIJVAAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-3-22-6-8-23(9-7-22)17-5-4-14(11-16(17)19)18(24)20-12-15-10-13(2)21-25-15/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,20,24).
What are the key properties of 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
4-(4-ethylpiperazin-1-yl)-3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide has a molecular weight of 346.41 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 49081788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).