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

C12H11F3N4O2 — CID 46960158

IUPAC(3-methyl-1,2-oxazol-5-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCc1cc(C(=O)N2CCn3cc(C(F)(F)F)nc3C2)on1
InChIInChI=1S/C12H11F3N4O2/c1-7-4-8(21-17-7)11(20)19-3-2-18-5-9(12(13,14)15)16-10(18)6-19/h4-5H,2-3,6H2,1H3
InChIKeyHKHWENGJYBHXNK-UHFFFAOYSA-N
MW300.24 g/mol
LogP1.85
Rot. Bonds1

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

(3-methyl-1,2-oxazol-5-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 46960158) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID46960158
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name(3-methyl-1,2-oxazol-5-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCc1cc(C(=O)N2CCn3cc(C(F)(F)F)nc3C2)on1
InChIInChI=1S/C12H11F3N4O2/c1-7-4-8(21-17-7)11(20)19-3-2-18-5-9(12(13,14)15)16-10(18)6-19/h4-5H,2-3,6H2,1H3
InChIKeyHKHWENGJYBHXNK-UHFFFAOYSA-N
XLogP1.85
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
(3-methyl-1,2-oxazol-5-yl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]methanone
CID 56821475
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone
CID 171928316
(3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32517272
methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate
CID 78904854
4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
CID 86869124
(3,5-difluorophenyl)-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 154860869
1-[(3,5-dimethylphenyl)methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one
CID 70715796
(3-methyl-1,2-oxazol-5-yl)-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]methanone
CID 133319033
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 80707380
furan-3-yl-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32532619
7-oxido-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 145287300

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 46960158) is (3-methyl-1,2-oxazol-5-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is Cc1cc(C(=O)N2CCn3cc(C(F)(F)F)nc3C2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is HKHWENGJYBHXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-7-4-8(21-17-7)11(20)19-3-2-18-5-9(12(13,14)15)16-10(18)6-19/h4-5H,2-3,6H2,1H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
(3-methyl-1,2-oxazol-5-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 300.24 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 46960158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).