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

C27H32FN3O3 — CID 46016340

IUPAC2-fluoro-N-(3-methoxypropyl)-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
SMILESCOCCCN(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C(=O)c1ccccc1F
InChIInChI=1S/C27H32FN3O3/c1-20-13-16-30(17-14-20)27-23(25(29-34-27)21-9-4-3-5-10-21)19-31(15-8-18-33-2)26(32)22-11-6-7-12-24(22)28/h3-7,9-12,20H,8,13-19H2,1-2H3
InChIKeyOZLJXYBNLZUOPU-UHFFFAOYSA-N
MW465.57 g/mol
LogP5.40
Rot. Bonds9

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

2-fluoro-N-(3-methoxypropyl)-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide (PubChem CID 46016340) has the molecular formula C27H32FN3O3 and a molecular weight of 465.57 g/mol. Its IUPAC name is 2-fluoro-N-(3-methoxypropyl)-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-methoxypropyl)-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
PubChem CID46016340
Molecular FormulaC27H32FN3O3
Molecular Weight465.57 g/mol
Exact Mass465.24
IUPAC Name2-fluoro-N-(3-methoxypropyl)-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
SMILESCOCCCN(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C(=O)c1ccccc1F
InChIInChI=1S/C27H32FN3O3/c1-20-13-16-30(17-14-20)27-23(25(29-34-27)21-9-4-3-5-10-21)19-31(15-8-18-33-2)26(32)22-11-6-7-12-24(22)28/h3-7,9-12,20H,8,13-19H2,1-2H3
InChIKeyOZLJXYBNLZUOPU-UHFFFAOYSA-N
XLogP5.40
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.57
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-fluoro-N-(3-methoxypropyl)-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-(3-methoxypropyl)-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide (CID 46016340) is 2-fluoro-N-(3-methoxypropyl)-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-(3-methoxypropyl)-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-(3-methoxypropyl)-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide is COCCCN(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(3-methoxypropyl)-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?
The InChIKey is OZLJXYBNLZUOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O3/c1-20-13-16-30(17-14-20)27-23(25(29-34-27)21-9-4-3-5-10-21)19-31(15-8-18-33-2)26(32)22-11-6-7-12-24(22)28/h3-7,9-12,20H,8,13-19H2,1-2H3.
What are the key properties of 2-fluoro-N-(3-methoxypropyl)-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?
2-fluoro-N-(3-methoxypropyl)-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide has a molecular weight of 465.57 g/mol, XLogP of 5.40, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methoxypropyl)-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide is sourced from PubChem (CID 46016340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).