2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone

C18H19N5O2 — CID 53193536

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C18H19N5O2/c1-12-15(13(2)25-21-12)10-17(24)22-8-9-23-16(11-22)19-20-18(23)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3
InChIKeyCIXGNBFGRUHZHX-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.13
Rot. Bonds3

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (PubChem CID 53193536) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
PubChem CID53193536
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C18H19N5O2/c1-12-15(13(2)25-21-12)10-17(24)22-8-9-23-16(11-22)19-20-18(23)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3
InChIKeyCIXGNBFGRUHZHX-UHFFFAOYSA-N
XLogP2.13
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone with MolForge

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Related Compounds

(2,3-dichlorophenyl)-[3-(5-methyl-1,2-oxazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 66599096
[2-chloro-3-(trifluoromethyl)phenyl]-[3-(5-methyl-1,2-oxazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 66599315
N-[1-[[1-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]amino]-2-methyl-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 57513797
[4-(4-Methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 32016235
3-(4-methyl-4H-1,2,4-triazol-3-yl)-1-[(5-phenyl-3-isoxazolyl)carbonyl]piperidine
CID 53529305
5-[1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 53554801
3-(3-Fluorophenyl)-5-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 56745399
5-[(5-Tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-fluorophenyl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 56746103
3-(3-Fluorophenyl)-5-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 56751412
(3,5-Dimethyl-1,2-oxazol-4-yl)-[14-(4-fluorophenyl)-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-8-yl]methanone
CID 110201168
2-(3,5-Dimethyl-1,2-oxazol-4-YL)-1-{2-phenyl-5H,6H,7H,8H-imidazo[1,2-A]pyrimidin-8-YL}ethan-1-one
CID 53183329
1-[4-[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2-(3-methylisoxazol-4-yl)ethanone
CID 172054412

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (CID 53193536) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is Cc1noc(C)c1CC(=O)N1CCn2c(nnc2-c2ccccc2)C1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The InChIKey is CIXGNBFGRUHZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-15(13(2)25-21-12)10-17(24)22-8-9-23-16(11-22)19-20-18(23)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone has a molecular weight of 337.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is sourced from PubChem (CID 53193536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).