8a-ethyl-7-[(4-pyridin-3-ylphenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

C20H23N3O2 — CID 154818460

IUPAC8a-ethyl-7-[(4-pyridin-3-ylphenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(Cc1ccc(-c3cccnc3)cc1)C2
InChIInChI=1S/C20H23N3O2/c1-2-20-14-22(10-11-23(20)19(24)25-15-20)13-16-5-7-17(8-6-16)18-4-3-9-21-12-18/h3-9,12H,2,10-11,13-15H2,1H3
InChIKeySAUOHRXKKRPYSQ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.17
Rot. Bonds4

About 8a-ethyl-7-[(4-pyridin-3-ylphenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

8a-ethyl-7-[(4-pyridin-3-ylphenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 154818460) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 8a-ethyl-7-[(4-pyridin-3-ylphenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name8a-ethyl-7-[(4-pyridin-3-ylphenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID154818460
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name8a-ethyl-7-[(4-pyridin-3-ylphenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(Cc1ccc(-c3cccnc3)cc1)C2
InChIInChI=1S/C20H23N3O2/c1-2-20-14-22(10-11-23(20)19(24)25-15-20)13-16-5-7-17(8-6-16)18-4-3-9-21-12-18/h3-9,12H,2,10-11,13-15H2,1H3
InChIKeySAUOHRXKKRPYSQ-UHFFFAOYSA-N
XLogP3.17
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8a-ethyl-7-(5-pyridin-3-ylpentanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146042630
1-methyl-4-[(4-pyridin-3-ylphenyl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane
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8a-ethyl-7-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146045404
1-[(4-methoxyphenyl)methyl]-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine;hydrochloride
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7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146040386
8a-ethyl-7-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
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N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231344
1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 129460090
(6S)-4-prop-2-enyl-1-(pyridin-4-ylmethyl)-6-[(4-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one
CID 92548354
(6R)-4-ethyl-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]-6-[(4-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one
CID 92591363
8a-ethyl-7-(5-methylsulfonyl-2-pyridinyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 154563418
8a-ethyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 154568563

Frequently Asked Questions

What is the IUPAC name of 8a-ethyl-7-[(4-pyridin-3-ylphenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 8a-ethyl-7-[(4-pyridin-3-ylphenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 154818460) is 8a-ethyl-7-[(4-pyridin-3-ylphenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 8a-ethyl-7-[(4-pyridin-3-ylphenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 8a-ethyl-7-[(4-pyridin-3-ylphenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is CCC12COC(=O)N1CCN(Cc1ccc(-c3cccnc3)cc1)C2.
What is the InChIKey of 8a-ethyl-7-[(4-pyridin-3-ylphenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is SAUOHRXKKRPYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-2-20-14-22(10-11-23(20)19(24)25-15-20)13-16-5-7-17(8-6-16)18-4-3-9-21-12-18/h3-9,12H,2,10-11,13-15H2,1H3.
What are the key properties of 8a-ethyl-7-[(4-pyridin-3-ylphenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
8a-ethyl-7-[(4-pyridin-3-ylphenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 337.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-ethyl-7-[(4-pyridin-3-ylphenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 154818460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).