5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-N-(1,3-thiazol-2-yl)pentanamide

C20H21FN4O3S — CID 118985565

IUPAC5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-N-(1,3-thiazol-2-yl)pentanamide
SMILESO=C(CCCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)Nc1nccs1
InChIInChI=1S/C20H21FN4O3S/c21-14-4-5-15-16(12-14)28-24-19(15)13-6-9-25(10-7-13)18(27)3-1-2-17(26)23-20-22-8-11-29-20/h4-5,8,11-13H,1-3,6-7,9-10H2,(H,22,23,26)
InChIKeyKOBZCPGJJIPZLV-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.94
Rot. Bonds6

About 5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-N-(1,3-thiazol-2-yl)pentanamide

5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-N-(1,3-thiazol-2-yl)pentanamide (PubChem CID 118985565) has the molecular formula C20H21FN4O3S and a molecular weight of 416.48 g/mol. Its IUPAC name is 5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-N-(1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-N-(1,3-thiazol-2-yl)pentanamide
PubChem CID118985565
Molecular FormulaC20H21FN4O3S
Molecular Weight416.48 g/mol
Exact Mass416.13
IUPAC Name5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-N-(1,3-thiazol-2-yl)pentanamide
SMILESO=C(CCCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)Nc1nccs1
InChIInChI=1S/C20H21FN4O3S/c21-14-4-5-15-16(12-14)28-24-19(15)13-6-9-25(10-7-13)18(27)3-1-2-17(26)23-20-22-8-11-29-20/h4-5,8,11-13H,1-3,6-7,9-10H2,(H,22,23,26)
InChIKeyKOBZCPGJJIPZLV-UHFFFAOYSA-N
XLogP3.94
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-N-(1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-N-(1,3-thiazol-2-yl)pentanamide (CID 118985565) is 5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-N-(1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-N-(1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-N-(1,3-thiazol-2-yl)pentanamide is O=C(CCCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)Nc1nccs1.
What is the InChIKey of 5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-N-(1,3-thiazol-2-yl)pentanamide?
The InChIKey is KOBZCPGJJIPZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3S/c21-14-4-5-15-16(12-14)28-24-19(15)13-6-9-25(10-7-13)18(27)3-1-2-17(26)23-20-22-8-11-29-20/h4-5,8,11-13H,1-3,6-7,9-10H2,(H,22,23,26).
What are the key properties of 5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-N-(1,3-thiazol-2-yl)pentanamide?
5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-N-(1,3-thiazol-2-yl)pentanamide has a molecular weight of 416.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-N-(1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 118985565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).