3-[6-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol

C14H19N5O3 — CID 91775167

IUPAC3-[6-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
SMILESCOCc1nc(CNc2cc(C3CC(O)C3)nc(C)n2)no1
InChIInChI=1S/C14H19N5O3/c1-8-16-11(9-3-10(20)4-9)5-12(17-8)15-6-13-18-14(7-21-2)22-19-13/h5,9-10,20H,3-4,6-7H2,1-2H3,(H,15,16,17)
InChIKeyOLCQUBFJITZOKO-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.16
Rot. Bonds6

About 3-[6-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol

3-[6-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91775167) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-[6-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91775167
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name3-[6-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
SMILESCOCc1nc(CNc2cc(C3CC(O)C3)nc(C)n2)no1
InChIInChI=1S/C14H19N5O3/c1-8-16-11(9-3-10(20)4-9)5-12(17-8)15-6-13-18-14(7-21-2)22-19-13/h5,9-10,20H,3-4,6-7H2,1-2H3,(H,15,16,17)
InChIKeyOLCQUBFJITZOKO-UHFFFAOYSA-N
XLogP1.16
TPSA106.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol (CID 91775167) is 3-[6-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol is COCc1nc(CNc2cc(C3CC(O)C3)nc(C)n2)no1.
What is the InChIKey of 3-[6-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is OLCQUBFJITZOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-8-16-11(9-3-10(20)4-9)5-12(17-8)15-6-13-18-14(7-21-2)22-19-13/h5,9-10,20H,3-4,6-7H2,1-2H3,(H,15,16,17).
What are the key properties of 3-[6-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 305.34 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91775167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).