5-(4,4-difluoropyrrolidin-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole

C10H9F2N5O — CID 171149996

IUPAC5-(4,4-difluoropyrrolidin-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
SMILESFC1(F)CNC(c2nc(-c3ncccn3)no2)C1
InChIInChI=1S/C10H9F2N5O/c11-10(12)4-6(15-5-10)9-16-8(17-18-9)7-13-2-1-3-14-7/h1-3,6,15H,4-5H2
InChIKeyPIEZCXPUNOZFPZ-UHFFFAOYSA-N
MW253.21 g/mol
LogP1.20
Rot. Bonds2

About 5-(4,4-difluoropyrrolidin-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole

5-(4,4-difluoropyrrolidin-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole (PubChem CID 171149996) has the molecular formula C10H9F2N5O and a molecular weight of 253.21 g/mol. Its IUPAC name is 5-(4,4-difluoropyrrolidin-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4,4-difluoropyrrolidin-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
PubChem CID171149996
Molecular FormulaC10H9F2N5O
Molecular Weight253.21 g/mol
Exact Mass253.08
IUPAC Name5-(4,4-difluoropyrrolidin-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
SMILESFC1(F)CNC(c2nc(-c3ncccn3)no2)C1
InChIInChI=1S/C10H9F2N5O/c11-10(12)4-6(15-5-10)9-16-8(17-18-9)7-13-2-1-3-14-7/h1-3,6,15H,4-5H2
InChIKeyPIEZCXPUNOZFPZ-UHFFFAOYSA-N
XLogP1.20
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4,4-Difluoropyrrolidin-2-YL)-1,2,4-oxadiazol-3-YL]pyrimidine
CID 110203262
5-[5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
CID 45783733
[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrimidin-2-ylmethanone
CID 110203203
[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrimidin-2-ylmethanone
CID 110203235
2-{5-[1-(Cyclopent-3-ene-1-carbonyl)-4,4-difluoropyrrolidin-2-YL]-1,2,4-oxadiazol-3-YL}pyrimidine
CID 124050853
2-[5-(1-Cyclopropanecarbonyl-4,4-difluoropyrrolidin-2-YL)-1,2,4-oxadiazol-3-YL]pyrimidine
CID 124050855
N-{[3-(2-pyrimidinyl)-1,2,4-oxadiazol-5-yl]methyl}-2,8-diazaspiro[4.5]decane-3-carboxamide dihydrochloride
CID 56887749
N-pyrimidin-4-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide
CID 71557454
N-pyrimidin-5-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide
CID 71557770
N-pyrimidin-4-yl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide
CID 71557931
(3-fluoropyrrolidin-1-yl)-[(2S,4S)-4-(pyrimidin-2-ylamino)pyrrolidin-2-yl]methanone
CID 140025358
(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-(pyrimidin-2-ylamino)pyrrolidin-2-yl]methanone
CID 140025379

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropyrrolidin-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4,4-difluoropyrrolidin-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole (CID 171149996) is 5-(4,4-difluoropyrrolidin-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4,4-difluoropyrrolidin-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4,4-difluoropyrrolidin-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole is FC1(F)CNC(c2nc(-c3ncccn3)no2)C1.
What is the InChIKey of 5-(4,4-difluoropyrrolidin-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole?
The InChIKey is PIEZCXPUNOZFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N5O/c11-10(12)4-6(15-5-10)9-16-8(17-18-9)7-13-2-1-3-14-7/h1-3,6,15H,4-5H2.
What are the key properties of 5-(4,4-difluoropyrrolidin-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole?
5-(4,4-difluoropyrrolidin-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole has a molecular weight of 253.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropyrrolidin-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 171149996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).