N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-(oxetan-3-yl)benzamide

C25H28FN3O3 — CID 162651388

IUPACN-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-(oxetan-3-yl)benzamide
SMILESO=C(c1ccccc1)N(CCCN1CCC(c2noc3cc(F)ccc23)CC1)C1COC1
InChIInChI=1S/C25H28FN3O3/c26-20-7-8-22-23(15-20)32-27-24(22)18-9-13-28(14-10-18)11-4-12-29(21-16-31-17-21)25(30)19-5-2-1-3-6-19/h1-3,5-8,15,18,21H,4,9-14,16-17H2
InChIKeyOZGHVKYGFAYUBW-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.08
Rot. Bonds7

About N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-(oxetan-3-yl)benzamide

N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-(oxetan-3-yl)benzamide (PubChem CID 162651388) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-(oxetan-3-yl)benzamide.

Molecular Properties

Compound NameN-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-(oxetan-3-yl)benzamide
PubChem CID162651388
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC NameN-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-(oxetan-3-yl)benzamide
SMILESO=C(c1ccccc1)N(CCCN1CCC(c2noc3cc(F)ccc23)CC1)C1COC1
InChIInChI=1S/C25H28FN3O3/c26-20-7-8-22-23(15-20)32-27-24(22)18-9-13-28(14-10-18)11-4-12-29(21-16-31-17-21)25(30)19-5-2-1-3-6-19/h1-3,5-8,15,18,21H,4,9-14,16-17H2
InChIKeyOZGHVKYGFAYUBW-UHFFFAOYSA-N
XLogP4.08
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-(oxetan-3-yl)benzamide?
The IUPAC name of N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-(oxetan-3-yl)benzamide (CID 162651388) is N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-(oxetan-3-yl)benzamide.
What is the SMILES notation for N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-(oxetan-3-yl)benzamide?
The canonical SMILES for N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-(oxetan-3-yl)benzamide is O=C(c1ccccc1)N(CCCN1CCC(c2noc3cc(F)ccc23)CC1)C1COC1.
What is the InChIKey of N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-(oxetan-3-yl)benzamide?
The InChIKey is OZGHVKYGFAYUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3/c26-20-7-8-22-23(15-20)32-27-24(22)18-9-13-28(14-10-18)11-4-12-29(21-16-31-17-21)25(30)19-5-2-1-3-6-19/h1-3,5-8,15,18,21H,4,9-14,16-17H2.
What are the key properties of N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-(oxetan-3-yl)benzamide?
N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-(oxetan-3-yl)benzamide has a molecular weight of 437.52 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-(oxetan-3-yl)benzamide is sourced from PubChem (CID 162651388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).