3-[1-(2-cyclopropylpyrimidin-4-yl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole

C17H23N5O2 — CID 75474342

IUPAC3-[1-(2-cyclopropylpyrimidin-4-yl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1nc(C2CCCCCN2c2ccnc(C3CC3)n2)no1
InChIInChI=1S/C17H23N5O2/c1-23-11-15-20-17(21-24-15)13-5-3-2-4-10-22(13)14-8-9-18-16(19-14)12-6-7-12/h8-9,12-13H,2-7,10-11H2,1H3
InChIKeyGGZCNZFSVIBRMD-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.01
Rot. Bonds5

About 3-[1-(2-cyclopropylpyrimidin-4-yl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole

3-[1-(2-cyclopropylpyrimidin-4-yl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 75474342) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[1-(2-cyclopropylpyrimidin-4-yl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(2-cyclopropylpyrimidin-4-yl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID75474342
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name3-[1-(2-cyclopropylpyrimidin-4-yl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1nc(C2CCCCCN2c2ccnc(C3CC3)n2)no1
InChIInChI=1S/C17H23N5O2/c1-23-11-15-20-17(21-24-15)13-5-3-2-4-10-22(13)14-8-9-18-16(19-14)12-6-7-12/h8-9,12-13H,2-7,10-11H2,1H3
InChIKeyGGZCNZFSVIBRMD-UHFFFAOYSA-N
XLogP3.01
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-cyclopropylpyrimidin-4-yl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(2-cyclopropylpyrimidin-4-yl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole (CID 75474342) is 3-[1-(2-cyclopropylpyrimidin-4-yl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(2-cyclopropylpyrimidin-4-yl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(2-cyclopropylpyrimidin-4-yl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole is COCc1nc(C2CCCCCN2c2ccnc(C3CC3)n2)no1.
What is the InChIKey of 3-[1-(2-cyclopropylpyrimidin-4-yl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is GGZCNZFSVIBRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-23-11-15-20-17(21-24-15)13-5-3-2-4-10-22(13)14-8-9-18-16(19-14)12-6-7-12/h8-9,12-13H,2-7,10-11H2,1H3.
What are the key properties of 3-[1-(2-cyclopropylpyrimidin-4-yl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole?
3-[1-(2-cyclopropylpyrimidin-4-yl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 329.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-cyclopropylpyrimidin-4-yl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 75474342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).