4-(aminomethyl)-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylbenzamide

C23H26FN3O2 — CID 119308944

IUPAC4-(aminomethyl)-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylbenzamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C23H26FN3O2/c1-27(23(28)18-11-9-17(16-25)10-12-18)13-4-2-3-8-21-15-22(26-29-21)19-6-5-7-20(24)14-19/h5-7,9-12,14-15H,2-4,8,13,16,25H2,1H3
InChIKeyZITBVRMMMDHACD-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.42
Rot. Bonds9

About 4-(aminomethyl)-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylbenzamide

4-(aminomethyl)-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylbenzamide (PubChem CID 119308944) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylbenzamide
PubChem CID119308944
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name4-(aminomethyl)-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylbenzamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C23H26FN3O2/c1-27(23(28)18-11-9-17(16-25)10-12-18)13-4-2-3-8-21-15-22(26-29-21)19-6-5-7-20(24)14-19/h5-7,9-12,14-15H,2-4,8,13,16,25H2,1H3
InChIKeyZITBVRMMMDHACD-UHFFFAOYSA-N
XLogP4.42
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylbenzamide?
The IUPAC name of 4-(aminomethyl)-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylbenzamide (CID 119308944) is 4-(aminomethyl)-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylbenzamide?
The canonical SMILES for 4-(aminomethyl)-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylbenzamide is CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylbenzamide?
The InChIKey is ZITBVRMMMDHACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-27(23(28)18-11-9-17(16-25)10-12-18)13-4-2-3-8-21-15-22(26-29-21)19-6-5-7-20(24)14-19/h5-7,9-12,14-15H,2-4,8,13,16,25H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylbenzamide?
4-(aminomethyl)-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylbenzamide has a molecular weight of 395.48 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylbenzamide is sourced from PubChem (CID 119308944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).