5-(azetidin-3-yl)-3-[2-[(2S)-3,3-difluoro-2-methylazetidin-1-yl]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-1,2,4-oxadiazole

C16H16F4N6O — CID 165395290

IUPAC5-(azetidin-3-yl)-3-[2-[(2S)-3,3-difluoro-2-methylazetidin-1-yl]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-1,2,4-oxadiazole
SMILESC[C@@H]1N(c2nc(-c3noc(C4CNC4)n3)c3c(n2)C(F)(F)CC3)CC1(F)F
InChIInChI=1S/C16H16F4N6O/c1-7-16(19,20)6-26(7)14-22-10(9-2-3-15(17,18)11(9)23-14)12-24-13(27-25-12)8-4-21-5-8/h7-8,21H,2-6H2,1H3/t7-/m0/s1
InChIKeyZAAVDJMAPPJXLE-ZETCQYMHSA-N
MW384.34 g/mol
LogP2.10
Rot. Bonds3

About 5-(azetidin-3-yl)-3-[2-[(2S)-3,3-difluoro-2-methylazetidin-1-yl]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-1,2,4-oxadiazole

5-(azetidin-3-yl)-3-[2-[(2S)-3,3-difluoro-2-methylazetidin-1-yl]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-1,2,4-oxadiazole (PubChem CID 165395290) has the molecular formula C16H16F4N6O and a molecular weight of 384.34 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-[2-[(2S)-3,3-difluoro-2-methylazetidin-1-yl]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-3-[2-[(2S)-3,3-difluoro-2-methylazetidin-1-yl]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-1,2,4-oxadiazole
PubChem CID165395290
Molecular FormulaC16H16F4N6O
Molecular Weight384.34 g/mol
Exact Mass384.13
IUPAC Name5-(azetidin-3-yl)-3-[2-[(2S)-3,3-difluoro-2-methylazetidin-1-yl]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-1,2,4-oxadiazole
SMILESC[C@@H]1N(c2nc(-c3noc(C4CNC4)n3)c3c(n2)C(F)(F)CC3)CC1(F)F
InChIInChI=1S/C16H16F4N6O/c1-7-16(19,20)6-26(7)14-22-10(9-2-3-15(17,18)11(9)23-14)12-24-13(27-25-12)8-4-21-5-8/h7-8,21H,2-6H2,1H3/t7-/m0/s1
InChIKeyZAAVDJMAPPJXLE-ZETCQYMHSA-N
XLogP2.10
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-3-[2-[(2S)-3,3-difluoro-2-methylazetidin-1-yl]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(azetidin-3-yl)-3-[2-[(2S)-3,3-difluoro-2-methylazetidin-1-yl]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-1,2,4-oxadiazole (CID 165395290) is 5-(azetidin-3-yl)-3-[2-[(2S)-3,3-difluoro-2-methylazetidin-1-yl]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(azetidin-3-yl)-3-[2-[(2S)-3,3-difluoro-2-methylazetidin-1-yl]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(azetidin-3-yl)-3-[2-[(2S)-3,3-difluoro-2-methylazetidin-1-yl]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-1,2,4-oxadiazole is C[C@@H]1N(c2nc(-c3noc(C4CNC4)n3)c3c(n2)C(F)(F)CC3)CC1(F)F.
What is the InChIKey of 5-(azetidin-3-yl)-3-[2-[(2S)-3,3-difluoro-2-methylazetidin-1-yl]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is ZAAVDJMAPPJXLE-ZETCQYMHSA-N. The full InChI is InChI=1S/C16H16F4N6O/c1-7-16(19,20)6-26(7)14-22-10(9-2-3-15(17,18)11(9)23-14)12-24-13(27-25-12)8-4-21-5-8/h7-8,21H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of 5-(azetidin-3-yl)-3-[2-[(2S)-3,3-difluoro-2-methylazetidin-1-yl]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-1,2,4-oxadiazole?
5-(azetidin-3-yl)-3-[2-[(2S)-3,3-difluoro-2-methylazetidin-1-yl]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 384.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-3-[2-[(2S)-3,3-difluoro-2-methylazetidin-1-yl]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 165395290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).