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

C17H23N5O2 — CID 91761071

IUPAC3-[6-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN(Cc1noc(C2CCCC2)n1)c1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C17H23N5O2/c1-22(9-15-20-17(24-21-15)11-4-2-3-5-11)16-8-14(18-10-19-16)12-6-13(23)7-12/h8,10-13,23H,2-7,9H2,1H3
InChIKeyZUAPZXNSNFIVOL-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.39
Rot. Bonds5

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

3-[6-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91761071) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[6-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91761071
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name3-[6-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN(Cc1noc(C2CCCC2)n1)c1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C17H23N5O2/c1-22(9-15-20-17(24-21-15)11-4-2-3-5-11)16-8-14(18-10-19-16)12-6-13(23)7-12/h8,10-13,23H,2-7,9H2,1H3
InChIKeyZUAPZXNSNFIVOL-UHFFFAOYSA-N
XLogP2.39
TPSA88.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[6-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91761071) is 3-[6-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol is CN(Cc1noc(C2CCCC2)n1)c1cc(C2CC(O)C2)ncn1.
What is the InChIKey of 3-[6-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is ZUAPZXNSNFIVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-22(9-15-20-17(24-21-15)11-4-2-3-5-11)16-8-14(18-10-19-16)12-6-13(23)7-12/h8,10-13,23H,2-7,9H2,1H3.
What are the key properties of 3-[6-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 329.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91761071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).