7-[[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methoxyphenyl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C19H25N5O3 — CID 170506304

IUPAC7-[[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methoxyphenyl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCn1nc(C)nc1-c1cc(CN2CCN3C(=O)OCC3C2)ccc1OC
InChIInChI=1S/C19H25N5O3/c1-4-24-18(20-13(2)21-24)16-9-14(5-6-17(16)26-3)10-22-7-8-23-15(11-22)12-27-19(23)25/h5-6,9,15H,4,7-8,10-12H2,1-3H3
InChIKeySVHQXOBVGQSFTG-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.92
Rot. Bonds5

About 7-[[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methoxyphenyl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

7-[[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methoxyphenyl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 170506304) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 7-[[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methoxyphenyl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methoxyphenyl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID170506304
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name7-[[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methoxyphenyl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCn1nc(C)nc1-c1cc(CN2CCN3C(=O)OCC3C2)ccc1OC
InChIInChI=1S/C19H25N5O3/c1-4-24-18(20-13(2)21-24)16-9-14(5-6-17(16)26-3)10-22-7-8-23-15(11-22)12-27-19(23)25/h5-6,9,15H,4,7-8,10-12H2,1-3H3
InChIKeySVHQXOBVGQSFTG-UHFFFAOYSA-N
XLogP1.92
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methoxyphenyl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one with MolForge

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Related Compounds

7-[(4-prop-2-enoxy-3-prop-2-enylphenyl)methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 131952510
3-[1-[[3-(4-aminopyrimidin-2-yl)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 166612477
2-methoxy-5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]benzonitrile
CID 79096075
5-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 128971167
4-[(3S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136735331
8-bromo-3-[(3,4-dimethoxyphenyl)methyl]-9-methoxy-6-oxido-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoxalin-6-ium
CID 87999032
(9aR)-2-[(3-fluoro-4-methoxyphenyl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95225232
[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-methoxyphenyl]boronic acid
CID 63635021
(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine
CID 95274185
1-[(3,4-dimethoxyphenyl)methyl]-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 19615127
4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 51074764
(8aR)-7-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]benzaldehyde;methane
CID 157277766

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methoxyphenyl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7-[[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methoxyphenyl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 170506304) is 7-[[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methoxyphenyl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7-[[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methoxyphenyl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7-[[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methoxyphenyl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is CCn1nc(C)nc1-c1cc(CN2CCN3C(=O)OCC3C2)ccc1OC.
What is the InChIKey of 7-[[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methoxyphenyl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is SVHQXOBVGQSFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-4-24-18(20-13(2)21-24)16-9-14(5-6-17(16)26-3)10-22-7-8-23-15(11-22)12-27-19(23)25/h5-6,9,15H,4,7-8,10-12H2,1-3H3.
What are the key properties of 7-[[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methoxyphenyl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7-[[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methoxyphenyl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 371.44 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methoxyphenyl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 170506304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).