pyrimidin-5-yl-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone

C18H14F3N5O3 — CID 146461674

IUPACpyrimidin-5-yl-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone
SMILESO=C(c1cncnc1)N1CCC(Oc2ccc(-c3noc(C(F)(F)F)n3)cc2)C1
InChIInChI=1S/C18H14F3N5O3/c19-18(20,21)17-24-15(25-29-17)11-1-3-13(4-2-11)28-14-5-6-26(9-14)16(27)12-7-22-10-23-8-12/h1-4,7-8,10,14H,5-6,9H2
InChIKeyGAHMHWODZHGFCE-UHFFFAOYSA-N
MW405.34 g/mol
LogP2.84
Rot. Bonds4

About pyrimidin-5-yl-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone

pyrimidin-5-yl-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone (PubChem CID 146461674) has the molecular formula C18H14F3N5O3 and a molecular weight of 405.34 g/mol. Its IUPAC name is pyrimidin-5-yl-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namepyrimidin-5-yl-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone
PubChem CID146461674
Molecular FormulaC18H14F3N5O3
Molecular Weight405.34 g/mol
Exact Mass405.10
IUPAC Namepyrimidin-5-yl-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone
SMILESO=C(c1cncnc1)N1CCC(Oc2ccc(-c3noc(C(F)(F)F)n3)cc2)C1
InChIInChI=1S/C18H14F3N5O3/c19-18(20,21)17-24-15(25-29-17)11-1-3-13(4-2-11)28-14-5-6-26(9-14)16(27)12-7-22-10-23-8-12/h1-4,7-8,10,14H,5-6,9H2
InChIKeyGAHMHWODZHGFCE-UHFFFAOYSA-N
XLogP2.84
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-fluorophenyl)-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone
CID 146461668
1-[4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-1-yl]ethanone
CID 156780426
4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]piperidine-1-carboxylic acid
CID 146461655
tert-butyl (3R)-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidine-1-carboxylate
CID 151701098
pyridin-4-yl-[(3R)-3-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 146461664
[3-[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 146461461
tert-butyl 3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]azetidine-1-carboxylate
CID 146461746
3-[4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 156903080
[3-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91915163
pyridin-2-yl-[(3S)-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone
CID 146461594
2,2-dimethyl-1-[(3S)-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]propan-1-one
CID 156780383
3-[4-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]oxyphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461752

Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-yl-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone?
The IUPAC name of pyrimidin-5-yl-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone (CID 146461674) is pyrimidin-5-yl-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone.
What is the SMILES notation for pyrimidin-5-yl-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone?
The canonical SMILES for pyrimidin-5-yl-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone is O=C(c1cncnc1)N1CCC(Oc2ccc(-c3noc(C(F)(F)F)n3)cc2)C1.
What is the InChIKey of pyrimidin-5-yl-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone?
The InChIKey is GAHMHWODZHGFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O3/c19-18(20,21)17-24-15(25-29-17)11-1-3-13(4-2-11)28-14-5-6-26(9-14)16(27)12-7-22-10-23-8-12/h1-4,7-8,10,14H,5-6,9H2.
What are the key properties of pyrimidin-5-yl-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone?
pyrimidin-5-yl-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone has a molecular weight of 405.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-yl-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 146461674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).