5-[3-fluoro-5-(1-piperidin-4-ylethylamino)-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one

C16H18F4N4O2 — CID 166745486

IUPAC5-[3-fluoro-5-(1-piperidin-4-ylethylamino)-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCC(Nc1cc(-c2n[nH]c(=O)o2)cc(F)c1C(F)(F)F)C1CCNCC1
InChIInChI=1S/C16H18F4N4O2/c1-8(9-2-4-21-5-3-9)22-12-7-10(14-23-24-15(25)26-14)6-11(17)13(12)16(18,19)20/h6-9,21-22H,2-5H2,1H3,(H,24,25)
InChIKeyKPTZLSWSJQPLLD-UHFFFAOYSA-N
MW374.34 g/mol
LogP2.99
Rot. Bonds4

About 5-[3-fluoro-5-(1-piperidin-4-ylethylamino)-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one

5-[3-fluoro-5-(1-piperidin-4-ylethylamino)-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 166745486) has the molecular formula C16H18F4N4O2 and a molecular weight of 374.34 g/mol. Its IUPAC name is 5-[3-fluoro-5-(1-piperidin-4-ylethylamino)-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[3-fluoro-5-(1-piperidin-4-ylethylamino)-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID166745486
Molecular FormulaC16H18F4N4O2
Molecular Weight374.34 g/mol
Exact Mass374.14
IUPAC Name5-[3-fluoro-5-(1-piperidin-4-ylethylamino)-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCC(Nc1cc(-c2n[nH]c(=O)o2)cc(F)c1C(F)(F)F)C1CCNCC1
InChIInChI=1S/C16H18F4N4O2/c1-8(9-2-4-21-5-3-9)22-12-7-10(14-23-24-15(25)26-14)6-11(17)13(12)16(18,19)20/h6-9,21-22H,2-5H2,1H3,(H,24,25)
InChIKeyKPTZLSWSJQPLLD-UHFFFAOYSA-N
XLogP2.99
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[3-fluoro-5-(1-piperidin-4-ylethylamino)-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one with MolForge

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Related Compounds

5-[3-[1-[(3R,4R)-3-ethylpiperidin-4-yl]ethylamino]-5-fluoro-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 166745510
5-[4-chloro-3-[[(1S)-1-piperidin-4-ylethyl]amino]-5-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride
CID 156761345
5-[3-chloro-4-methyl-5-(1-piperidin-4-ylethylamino)phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride
CID 166745804
5-[4-chloro-3-(1-piperidin-4-ylethylamino)phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride
CID 166745971
5-[3-[[(1S)-1-(4-aminocyclohexyl)ethyl]amino]-5-fluoro-4-methylphenyl]-3H-1,3,4-oxadiazol-2-one
CID 156761135
4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(1-piperidin-4-ylethylamino)benzonitrile
CID 166745805
5-[4-chloro-3-nitro-5-(1-piperidin-4-ylethylamino)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 166745635
4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(1-piperidin-4-ylethylamino)benzonitrile;hydrochloride
CID 166746142
5-[3-chloro-5-[[(1S)-1-piperidin-4-ylethyl]amino]phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride
CID 156761012
5-[3-[[(1S)-1-(3-aminocyclobutyl)ethyl]amino]-4-chloro-5-fluorophenyl]-3H-1,3,4-oxadiazol-2-one
CID 156761019
5-[4-(trifluoromethyl)-3-[(2,2,2-trifluoro-1-piperidin-4-ylethyl)amino]phenyl]-3H-1,3,4-oxadiazol-2-one;hydrochloride
CID 166745483
5-[3-[1-[(3S,4S)-3-ethylpiperidin-4-yl]ethylamino]-5-fluoro-4-methylphenyl]-3H-1,3,4-oxadiazol-2-one;hydrochloride
CID 166745931

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-5-(1-piperidin-4-ylethylamino)-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[3-fluoro-5-(1-piperidin-4-ylethylamino)-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one (CID 166745486) is 5-[3-fluoro-5-(1-piperidin-4-ylethylamino)-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[3-fluoro-5-(1-piperidin-4-ylethylamino)-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[3-fluoro-5-(1-piperidin-4-ylethylamino)-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one is CC(Nc1cc(-c2n[nH]c(=O)o2)cc(F)c1C(F)(F)F)C1CCNCC1.
What is the InChIKey of 5-[3-fluoro-5-(1-piperidin-4-ylethylamino)-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is KPTZLSWSJQPLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4N4O2/c1-8(9-2-4-21-5-3-9)22-12-7-10(14-23-24-15(25)26-14)6-11(17)13(12)16(18,19)20/h6-9,21-22H,2-5H2,1H3,(H,24,25).
What are the key properties of 5-[3-fluoro-5-(1-piperidin-4-ylethylamino)-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
5-[3-fluoro-5-(1-piperidin-4-ylethylamino)-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 374.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-5-(1-piperidin-4-ylethylamino)-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 166745486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).