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

C27H32FN3O2 — CID 24718182

IUPAC3-fluoro-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C(=O)c1cccc(F)c1
InChIInChI=1S/C27H32FN3O2/c1-19(2)17-31(26(32)22-10-7-11-23(28)16-22)18-24-25(21-8-5-4-6-9-21)29-33-27(24)30-14-12-20(3)13-15-30/h4-11,16,19-20H,12-15,17-18H2,1-3H3
InChIKeyJDKNIBHJCVBXJI-UHFFFAOYSA-N
MW449.57 g/mol
LogP6.02
Rot. Bonds7

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

3-fluoro-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methylpropyl)benzamide (PubChem CID 24718182) has the molecular formula C27H32FN3O2 and a molecular weight of 449.57 g/mol. Its IUPAC name is 3-fluoro-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
PubChem CID24718182
Molecular FormulaC27H32FN3O2
Molecular Weight449.57 g/mol
Exact Mass449.25
IUPAC Name3-fluoro-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C(=O)c1cccc(F)c1
InChIInChI=1S/C27H32FN3O2/c1-19(2)17-31(26(32)22-10-7-11-23(28)16-22)18-24-25(21-8-5-4-6-9-21)29-33-27(24)30-14-12-20(3)13-15-30/h4-11,16,19-20H,12-15,17-18H2,1-3H3
InChIKeyJDKNIBHJCVBXJI-UHFFFAOYSA-N
XLogP6.02
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.57
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-fluoro-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methylpropyl)benzamide (CID 24718182) is 3-fluoro-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-fluoro-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-fluoro-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methylpropyl)benzamide is CC(C)CN(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is JDKNIBHJCVBXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O2/c1-19(2)17-31(26(32)22-10-7-11-23(28)16-22)18-24-25(21-8-5-4-6-9-21)29-33-27(24)30-14-12-20(3)13-15-30/h4-11,16,19-20H,12-15,17-18H2,1-3H3.
What are the key properties of 3-fluoro-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
3-fluoro-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 449.57 g/mol, XLogP of 6.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 24718182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).