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

C25H26FN3O2 — CID 24719772

IUPACN-cyclopropyl-2-fluoro-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
SMILESO=C(c1ccccc1F)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C1CC1
InChIInChI=1S/C25H26FN3O2/c26-22-12-6-5-11-20(22)24(30)29(19-13-14-19)17-21-23(18-9-3-1-4-10-18)27-31-25(21)28-15-7-2-8-16-28/h1,3-6,9-12,19H,2,7-8,13-17H2
InChIKeyFGEYMKZYZHQVSQ-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.28
Rot. Bonds6

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

N-cyclopropyl-2-fluoro-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide (PubChem CID 24719772) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
PubChem CID24719772
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC NameN-cyclopropyl-2-fluoro-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
SMILESO=C(c1ccccc1F)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C1CC1
InChIInChI=1S/C25H26FN3O2/c26-22-12-6-5-11-20(22)24(30)29(19-13-14-19)17-21-23(18-9-3-1-4-10-18)27-31-25(21)28-15-7-2-8-16-28/h1,3-6,9-12,19H,2,7-8,13-17H2
InChIKeyFGEYMKZYZHQVSQ-UHFFFAOYSA-N
XLogP5.28
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide (CID 24719772) is N-cyclopropyl-2-fluoro-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide is O=C(c1ccccc1F)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-fluoro-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The InChIKey is FGEYMKZYZHQVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c26-22-12-6-5-11-20(22)24(30)29(19-13-14-19)17-21-23(18-9-3-1-4-10-18)27-31-25(21)28-15-7-2-8-16-28/h1,3-6,9-12,19H,2,7-8,13-17H2.
What are the key properties of N-cyclopropyl-2-fluoro-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
N-cyclopropyl-2-fluoro-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide has a molecular weight of 419.50 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide is sourced from PubChem (CID 24719772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).