2-propan-2-yl-4-pyrazin-2-yl-1,3-oxazole

C10H11N3O — CID 89099684

IUPAC2-propan-2-yl-4-pyrazin-2-yl-1,3-oxazole
SMILESCC(C)c1nc(-c2cnccn2)co1
InChIInChI=1S/C10H11N3O/c1-7(2)10-13-9(6-14-10)8-5-11-3-4-12-8/h3-7H,1-2H3
InChIKeyKYWUOBLVNSAZQX-UHFFFAOYSA-N
MW189.22 g/mol
LogP2.26
Rot. Bonds2

About 2-propan-2-yl-4-pyrazin-2-yl-1,3-oxazole

2-propan-2-yl-4-pyrazin-2-yl-1,3-oxazole (PubChem CID 89099684) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-propan-2-yl-4-pyrazin-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-propan-2-yl-4-pyrazin-2-yl-1,3-oxazole
PubChem CID89099684
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-propan-2-yl-4-pyrazin-2-yl-1,3-oxazole
SMILESCC(C)c1nc(-c2cnccn2)co1
InChIInChI=1S/C10H11N3O/c1-7(2)10-13-9(6-14-10)8-5-11-3-4-12-8/h3-7H,1-2H3
InChIKeyKYWUOBLVNSAZQX-UHFFFAOYSA-N
XLogP2.26
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-pyrazin-2-yl-1,3-oxazole?
The IUPAC name of 2-propan-2-yl-4-pyrazin-2-yl-1,3-oxazole (CID 89099684) is 2-propan-2-yl-4-pyrazin-2-yl-1,3-oxazole.
What is the SMILES notation for 2-propan-2-yl-4-pyrazin-2-yl-1,3-oxazole?
The canonical SMILES for 2-propan-2-yl-4-pyrazin-2-yl-1,3-oxazole is CC(C)c1nc(-c2cnccn2)co1.
What is the InChIKey of 2-propan-2-yl-4-pyrazin-2-yl-1,3-oxazole?
The InChIKey is KYWUOBLVNSAZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7(2)10-13-9(6-14-10)8-5-11-3-4-12-8/h3-7H,1-2H3.
What are the key properties of 2-propan-2-yl-4-pyrazin-2-yl-1,3-oxazole?
2-propan-2-yl-4-pyrazin-2-yl-1,3-oxazole has a molecular weight of 189.22 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-pyrazin-2-yl-1,3-oxazole is sourced from PubChem (CID 89099684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).