3-[1-[6-(cyclopentylmethoxy)pyrazin-2-yl]azetidin-3-yl]-5-methyl-1,2-oxazole

C17H22N4O2 — CID 166293624

IUPAC3-[1-[6-(cyclopentylmethoxy)pyrazin-2-yl]azetidin-3-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(C2CN(c3cncc(OCC4CCCC4)n3)C2)no1
InChIInChI=1S/C17H22N4O2/c1-12-6-15(20-23-12)14-9-21(10-14)16-7-18-8-17(19-16)22-11-13-4-2-3-5-13/h6-8,13-14H,2-5,9-11H2,1H3
InChIKeyYCMUNQVLPPZZDT-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.95
Rot. Bonds5

About 3-[1-[6-(cyclopentylmethoxy)pyrazin-2-yl]azetidin-3-yl]-5-methyl-1,2-oxazole

3-[1-[6-(cyclopentylmethoxy)pyrazin-2-yl]azetidin-3-yl]-5-methyl-1,2-oxazole (PubChem CID 166293624) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[1-[6-(cyclopentylmethoxy)pyrazin-2-yl]azetidin-3-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[1-[6-(cyclopentylmethoxy)pyrazin-2-yl]azetidin-3-yl]-5-methyl-1,2-oxazole
PubChem CID166293624
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-[1-[6-(cyclopentylmethoxy)pyrazin-2-yl]azetidin-3-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(C2CN(c3cncc(OCC4CCCC4)n3)C2)no1
InChIInChI=1S/C17H22N4O2/c1-12-6-15(20-23-12)14-9-21(10-14)16-7-18-8-17(19-16)22-11-13-4-2-3-5-13/h6-8,13-14H,2-5,9-11H2,1H3
InChIKeyYCMUNQVLPPZZDT-UHFFFAOYSA-N
XLogP2.95
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(cyclopentylmethoxy)pyrazin-2-yl]azetidin-3-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[1-[6-(cyclopentylmethoxy)pyrazin-2-yl]azetidin-3-yl]-5-methyl-1,2-oxazole (CID 166293624) is 3-[1-[6-(cyclopentylmethoxy)pyrazin-2-yl]azetidin-3-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[1-[6-(cyclopentylmethoxy)pyrazin-2-yl]azetidin-3-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[1-[6-(cyclopentylmethoxy)pyrazin-2-yl]azetidin-3-yl]-5-methyl-1,2-oxazole is Cc1cc(C2CN(c3cncc(OCC4CCCC4)n3)C2)no1.
What is the InChIKey of 3-[1-[6-(cyclopentylmethoxy)pyrazin-2-yl]azetidin-3-yl]-5-methyl-1,2-oxazole?
The InChIKey is YCMUNQVLPPZZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-6-15(20-23-12)14-9-21(10-14)16-7-18-8-17(19-16)22-11-13-4-2-3-5-13/h6-8,13-14H,2-5,9-11H2,1H3.
What are the key properties of 3-[1-[6-(cyclopentylmethoxy)pyrazin-2-yl]azetidin-3-yl]-5-methyl-1,2-oxazole?
3-[1-[6-(cyclopentylmethoxy)pyrazin-2-yl]azetidin-3-yl]-5-methyl-1,2-oxazole has a molecular weight of 314.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(cyclopentylmethoxy)pyrazin-2-yl]azetidin-3-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 166293624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).