3-[6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol

C19H25N5O2 — CID 91770584

IUPAC3-[6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(N3CCC(Cc4noc(C5CC5)n4)CC3)ncn2)C1
InChIInChI=1S/C19H25N5O2/c25-15-8-14(9-15)16-10-18(21-11-20-16)24-5-3-12(4-6-24)7-17-22-19(26-23-17)13-1-2-13/h10-15,25H,1-9H2
InChIKeyJBQGCDCTLYUSDY-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.43
Rot. Bonds5

About 3-[6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91770584) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91770584
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-[6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(N3CCC(Cc4noc(C5CC5)n4)CC3)ncn2)C1
InChIInChI=1S/C19H25N5O2/c25-15-8-14(9-15)16-10-18(21-11-20-16)24-5-3-12(4-6-24)7-17-22-19(26-23-17)13-1-2-13/h10-15,25H,1-9H2
InChIKeyJBQGCDCTLYUSDY-UHFFFAOYSA-N
XLogP2.43
TPSA88.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (CID 91770584) is 3-[6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is OC1CC(c2cc(N3CCC(Cc4noc(C5CC5)n4)CC3)ncn2)C1.
What is the InChIKey of 3-[6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is JBQGCDCTLYUSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c25-15-8-14(9-15)16-10-18(21-11-20-16)24-5-3-12(4-6-24)7-17-22-19(26-23-17)13-1-2-13/h10-15,25H,1-9H2.
What are the key properties of 3-[6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 355.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91770584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).