3-[[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole

C18H18FN5O — CID 154763839

IUPAC3-[[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole
SMILESFc1cccc(-c2ccnc(C3CCN(Cc4cnon4)CC3)n2)c1
InChIInChI=1S/C18H18FN5O/c19-15-3-1-2-14(10-15)17-4-7-20-18(22-17)13-5-8-24(9-6-13)12-16-11-21-25-23-16/h1-4,7,10-11,13H,5-6,8-9,12H2
InChIKeyWJWXRROIJQQTTM-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.05
Rot. Bonds4

About 3-[[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole

3-[[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole (PubChem CID 154763839) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 3-[[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole
PubChem CID154763839
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name3-[[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole
SMILESFc1cccc(-c2ccnc(C3CCN(Cc4cnon4)CC3)n2)c1
InChIInChI=1S/C18H18FN5O/c19-15-3-1-2-14(10-15)17-4-7-20-18(22-17)13-5-8-24(9-6-13)12-16-11-21-25-23-16/h1-4,7,10-11,13H,5-6,8-9,12H2
InChIKeyWJWXRROIJQQTTM-UHFFFAOYSA-N
XLogP3.05
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole with MolForge

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Related Compounds

SB-220025
CID 5164
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
PF-670462
CID 51049607
PD-169316
CID 4712
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
Ngd 94-1
CID 188942
VK-19911
CID 9797240
SB-242235
CID 9863367
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
SB-216995
CID 5171
(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo(1,2-a:4,5-c')dipyridin-7-amine
CID 15953860

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole?
The IUPAC name of 3-[[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole (CID 154763839) is 3-[[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-[[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole?
The canonical SMILES for 3-[[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole is Fc1cccc(-c2ccnc(C3CCN(Cc4cnon4)CC3)n2)c1.
What is the InChIKey of 3-[[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole?
The InChIKey is WJWXRROIJQQTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-15-3-1-2-14(10-15)17-4-7-20-18(22-17)13-5-8-24(9-6-13)12-16-11-21-25-23-16/h1-4,7,10-11,13H,5-6,8-9,12H2.
What are the key properties of 3-[[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole?
3-[[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole has a molecular weight of 339.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole is sourced from PubChem (CID 154763839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).