3,5-dimethyl-4-[6-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole

C18H20N6O — CID 118740409

IUPAC3,5-dimethyl-4-[6-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cncc(C2CCCN2Cc2cncnc2)n1
InChIInChI=1S/C18H20N6O/c1-12-18(13(2)25-23-12)16-9-19-8-15(22-16)17-4-3-5-24(17)10-14-6-20-11-21-7-14/h6-9,11,17H,3-5,10H2,1-2H3
InChIKeyCLVWZSIRJKUUSW-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.88
Rot. Bonds4

About 3,5-dimethyl-4-[6-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole

3,5-dimethyl-4-[6-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole (PubChem CID 118740409) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 3,5-dimethyl-4-[6-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[6-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole
PubChem CID118740409
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name3,5-dimethyl-4-[6-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cncc(C2CCCN2Cc2cncnc2)n1
InChIInChI=1S/C18H20N6O/c1-12-18(13(2)25-23-12)16-9-19-8-15(22-16)17-4-3-5-24(17)10-14-6-20-11-21-7-14/h6-9,11,17H,3-5,10H2,1-2H3
InChIKeyCLVWZSIRJKUUSW-UHFFFAOYSA-N
XLogP2.88
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[6-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[6-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole (CID 118740409) is 3,5-dimethyl-4-[6-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[6-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[6-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole is Cc1noc(C)c1-c1cncc(C2CCCN2Cc2cncnc2)n1.
What is the InChIKey of 3,5-dimethyl-4-[6-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole?
The InChIKey is CLVWZSIRJKUUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-18(13(2)25-23-12)16-9-19-8-15(22-16)17-4-3-5-24(17)10-14-6-20-11-21-7-14/h6-9,11,17H,3-5,10H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[6-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole?
3,5-dimethyl-4-[6-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole has a molecular weight of 336.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[6-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole is sourced from PubChem (CID 118740409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).