(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

C13H13F3N4O2 — CID 46960159

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C13H13F3N4O2/c1-7-11(8(2)22-18-7)12(21)20-4-3-19-5-9(13(14,15)16)17-10(19)6-20/h5H,3-4,6H2,1-2H3
InChIKeyCIAINBXSKBDXBM-UHFFFAOYSA-N
MW314.27 g/mol
LogP2.16
Rot. Bonds1

About (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 46960159) has the molecular formula C13H13F3N4O2 and a molecular weight of 314.27 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID46960159
Molecular FormulaC13H13F3N4O2
Molecular Weight314.27 g/mol
Exact Mass314.10
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C13H13F3N4O2/c1-7-11(8(2)22-18-7)12(21)20-4-3-19-5-9(13(14,15)16)17-10(19)6-20/h5H,3-4,6H2,1-2H3
InChIKeyCIAINBXSKBDXBM-UHFFFAOYSA-N
XLogP2.16
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 46960159) is (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is Cc1noc(C)c1C(=O)N1CCn2cc(C(F)(F)F)nc2C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is CIAINBXSKBDXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2/c1-7-11(8(2)22-18-7)12(21)20-4-3-19-5-9(13(14,15)16)17-10(19)6-20/h5H,3-4,6H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 314.27 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 46960159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).