3,6-dimethyl-[1,2]oxazolo[3,4-b]pyrazine

C7H7N3O — CID 166898130

IUPAC3,6-dimethyl-[1,2]oxazolo[3,4-b]pyrazine
SMILESCc1cnc2c(C)onc2n1
InChIInChI=1S/C7H7N3O/c1-4-3-8-6-5(2)11-10-7(6)9-4/h3H,1-2H3
InChIKeyBKTCFJUNKXPNEU-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.23
Rot. Bonds

About 3,6-dimethyl-[1,2]oxazolo[3,4-b]pyrazine

3,6-dimethyl-[1,2]oxazolo[3,4-b]pyrazine (PubChem CID 166898130) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 3,6-dimethyl-[1,2]oxazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3,6-dimethyl-[1,2]oxazolo[3,4-b]pyrazine
PubChem CID166898130
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name3,6-dimethyl-[1,2]oxazolo[3,4-b]pyrazine
SMILESCc1cnc2c(C)onc2n1
InChIInChI=1S/C7H7N3O/c1-4-3-8-6-5(2)11-10-7(6)9-4/h3H,1-2H3
InChIKeyBKTCFJUNKXPNEU-UHFFFAOYSA-N
XLogP1.23
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-[1,2]oxazolo[3,4-b]pyrazine?
The IUPAC name of 3,6-dimethyl-[1,2]oxazolo[3,4-b]pyrazine (CID 166898130) is 3,6-dimethyl-[1,2]oxazolo[3,4-b]pyrazine.
What is the SMILES notation for 3,6-dimethyl-[1,2]oxazolo[3,4-b]pyrazine?
The canonical SMILES for 3,6-dimethyl-[1,2]oxazolo[3,4-b]pyrazine is Cc1cnc2c(C)onc2n1.
What is the InChIKey of 3,6-dimethyl-[1,2]oxazolo[3,4-b]pyrazine?
The InChIKey is BKTCFJUNKXPNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-4-3-8-6-5(2)11-10-7(6)9-4/h3H,1-2H3.
What are the key properties of 3,6-dimethyl-[1,2]oxazolo[3,4-b]pyrazine?
3,6-dimethyl-[1,2]oxazolo[3,4-b]pyrazine has a molecular weight of 149.15 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-[1,2]oxazolo[3,4-b]pyrazine is sourced from PubChem (CID 166898130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).