5-[difluoro(piperidin-4-yl)methyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole

C13H17F2N5O — CID 138017407

IUPAC5-[difluoro(piperidin-4-yl)methyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCn1cncc1Cc1noc(C(F)(F)C2CCNCC2)n1
InChIInChI=1S/C13H17F2N5O/c1-20-8-17-7-10(20)6-11-18-12(21-19-11)13(14,15)9-2-4-16-5-3-9/h7-9,16H,2-6H2,1H3
InChIKeyHOJAYZAGYLAZTH-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.49
Rot. Bonds4

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

5-[difluoro(piperidin-4-yl)methyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 138017407) has the molecular formula C13H17F2N5O and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-[difluoro(piperidin-4-yl)methyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[difluoro(piperidin-4-yl)methyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID138017407
Molecular FormulaC13H17F2N5O
Molecular Weight297.31 g/mol
Exact Mass297.14
IUPAC Name5-[difluoro(piperidin-4-yl)methyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCn1cncc1Cc1noc(C(F)(F)C2CCNCC2)n1
InChIInChI=1S/C13H17F2N5O/c1-20-8-17-7-10(20)6-11-18-12(21-19-11)13(14,15)9-2-4-16-5-3-9/h7-9,16H,2-6H2,1H3
InChIKeyHOJAYZAGYLAZTH-UHFFFAOYSA-N
XLogP1.49
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 75472728
(7R)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97339585
(7S)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97339586
5-Ethyl-3-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128978644
5-Cyclopropyl-3-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128978774
1-[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 128997666
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclohexan-1-amine
CID 129007335
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129341270
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129341271
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclohexan-1-amine
CID 129342563
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclohexan-1-amine
CID 129342564
5-methyl-3-[[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 129346469

Frequently Asked Questions

What is the IUPAC name of 5-[difluoro(piperidin-4-yl)methyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[difluoro(piperidin-4-yl)methyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole (CID 138017407) is 5-[difluoro(piperidin-4-yl)methyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[difluoro(piperidin-4-yl)methyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[difluoro(piperidin-4-yl)methyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole is Cn1cncc1Cc1noc(C(F)(F)C2CCNCC2)n1.
What is the InChIKey of 5-[difluoro(piperidin-4-yl)methyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is HOJAYZAGYLAZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N5O/c1-20-8-17-7-10(20)6-11-18-12(21-19-11)13(14,15)9-2-4-16-5-3-9/h7-9,16H,2-6H2,1H3.
What are the key properties of 5-[difluoro(piperidin-4-yl)methyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole?
5-[difluoro(piperidin-4-yl)methyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 297.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[difluoro(piperidin-4-yl)methyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 138017407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).