3-cyclopropyl-5-[(1R)-1-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]ethyl]-1,2,4-oxadiazole

C18H25N5O2 — CID 98798335

IUPAC3-cyclopropyl-5-[(1R)-1-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCOCc1nccc([C@@H]2CCCN([C@H](C)c3nc(C4CC4)no3)C2)n1
InChIInChI=1S/C18H25N5O2/c1-12(18-21-17(22-25-18)13-5-6-13)23-9-3-4-14(10-23)15-7-8-19-16(20-15)11-24-2/h7-8,12-14H,3-6,9-11H2,1-2H3/t12-,14-/m1/s1
InChIKeyLYKGCFMEQBRROY-TZMCWYRMSA-N
MW343.43 g/mol
LogP2.82
Rot. Bonds6

About 3-cyclopropyl-5-[(1R)-1-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]ethyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[(1R)-1-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 98798335) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(1R)-1-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(1R)-1-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID98798335
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-cyclopropyl-5-[(1R)-1-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCOCc1nccc([C@@H]2CCCN([C@H](C)c3nc(C4CC4)no3)C2)n1
InChIInChI=1S/C18H25N5O2/c1-12(18-21-17(22-25-18)13-5-6-13)23-9-3-4-14(10-23)15-7-8-19-16(20-15)11-24-2/h7-8,12-14H,3-6,9-11H2,1-2H3/t12-,14-/m1/s1
InChIKeyLYKGCFMEQBRROY-TZMCWYRMSA-N
XLogP2.82
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(1R)-1-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(1R)-1-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]ethyl]-1,2,4-oxadiazole (CID 98798335) is 3-cyclopropyl-5-[(1R)-1-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(1R)-1-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(1R)-1-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]ethyl]-1,2,4-oxadiazole is COCc1nccc([C@@H]2CCCN([C@H](C)c3nc(C4CC4)no3)C2)n1.
What is the InChIKey of 3-cyclopropyl-5-[(1R)-1-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is LYKGCFMEQBRROY-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12(18-21-17(22-25-18)13-5-6-13)23-9-3-4-14(10-23)15-7-8-19-16(20-15)11-24-2/h7-8,12-14H,3-6,9-11H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of 3-cyclopropyl-5-[(1R)-1-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(1R)-1-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 343.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(1R)-1-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 98798335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).