3-cyclopropyl-5-[(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)oxymethyl]-1,2,4-oxadiazole

C15H20N4O2 — CID 56906787

IUPAC3-cyclopropyl-5-[(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCc1nc(C(C)C)nc(C)c1OCc1nc(C2CC2)no1
InChIInChI=1S/C15H20N4O2/c1-8(2)14-16-9(3)13(10(4)17-14)20-7-12-18-15(19-21-12)11-5-6-11/h8,11H,5-7H2,1-4H3
InChIKeyYMFQWYSDFWNHDR-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.06
Rot. Bonds5

About 3-cyclopropyl-5-[(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)oxymethyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)oxymethyl]-1,2,4-oxadiazole (PubChem CID 56906787) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)oxymethyl]-1,2,4-oxadiazole
PubChem CID56906787
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-cyclopropyl-5-[(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCc1nc(C(C)C)nc(C)c1OCc1nc(C2CC2)no1
InChIInChI=1S/C15H20N4O2/c1-8(2)14-16-9(3)13(10(4)17-14)20-7-12-18-15(19-21-12)11-5-6-11/h8,11H,5-7H2,1-4H3
InChIKeyYMFQWYSDFWNHDR-UHFFFAOYSA-N
XLogP3.06
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)oxymethyl]-1,2,4-oxadiazole (CID 56906787) is 3-cyclopropyl-5-[(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)oxymethyl]-1,2,4-oxadiazole is Cc1nc(C(C)C)nc(C)c1OCc1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-5-[(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)oxymethyl]-1,2,4-oxadiazole?
The InChIKey is YMFQWYSDFWNHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-8(2)14-16-9(3)13(10(4)17-14)20-7-12-18-15(19-21-12)11-5-6-11/h8,11H,5-7H2,1-4H3.
What are the key properties of 3-cyclopropyl-5-[(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)oxymethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)oxymethyl]-1,2,4-oxadiazole has a molecular weight of 288.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56906787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).