5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid

C17H19FN2O4 — CID 45495525

IUPAC5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C17H19FN2O4/c18-12-4-5-13-14(10-12)24-19-17(13)11-6-8-20(9-7-11)15(21)2-1-3-16(22)23/h4-5,10-11H,1-3,6-9H2,(H,22,23)
InChIKeyWNIJWPIOKKTCBZ-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.93
Rot. Bonds5

About 5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid

5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid (PubChem CID 45495525) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid
PubChem CID45495525
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C17H19FN2O4/c18-12-4-5-13-14(10-12)24-19-17(13)11-6-8-20(9-7-11)15(21)2-1-3-16(22)23/h4-5,10-11H,1-3,6-9H2,(H,22,23)
InChIKeyWNIJWPIOKKTCBZ-UHFFFAOYSA-N
XLogP2.93
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(9E)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]octadeca-9,12-dien-1-one
CID 175098735
5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 118985565
4-(6-fluoro-1,2-benzoxazol-3-yl)-N-[6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]amino]hexyl]piperidine-1-carboxamide
CID 59651081
5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 136543696
(Z)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]but-2-enedioic acid
CID 67070819
1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one
CID 127267392
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone
CID 71708698
3-(1-chloropiperidin-4-yl)-6-fluoro-1,2-benzoxazole
CID 89080294
bis(but-2-enedioic acid);6-fluoro-3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole
CID 67070997
but-2-enedioic acid;[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl] hexanoate
CID 67559128
(3R)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one
CID 92581702
[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
CID 66549068

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid (CID 45495525) is 5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid is O=C(O)CCCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid?
The InChIKey is WNIJWPIOKKTCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c18-12-4-5-13-14(10-12)24-19-17(13)11-6-8-20(9-7-11)15(21)2-1-3-16(22)23/h4-5,10-11H,1-3,6-9H2,(H,22,23).
What are the key properties of 5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid?
5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid has a molecular weight of 334.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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-oxopentanoic acid is sourced from PubChem (CID 45495525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).