8a-ethyl-7-[2-[4-(5-methyltetrazol-1-yl)phenyl]acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

C18H22N6O3 — CID 146039717

IUPAC8a-ethyl-7-[2-[4-(5-methyltetrazol-1-yl)phenyl]acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(C(=O)Cc1ccc(-n3nnnc3C)cc1)C2
InChIInChI=1S/C18H22N6O3/c1-3-18-11-22(8-9-23(18)17(26)27-12-18)16(25)10-14-4-6-15(7-5-14)24-13(2)19-20-21-24/h4-7H,3,8-12H2,1-2H3
InChIKeyAIVKNDMUYLGQIT-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.96
Rot. Bonds4

About 8a-ethyl-7-[2-[4-(5-methyltetrazol-1-yl)phenyl]acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

8a-ethyl-7-[2-[4-(5-methyltetrazol-1-yl)phenyl]acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 146039717) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 8a-ethyl-7-[2-[4-(5-methyltetrazol-1-yl)phenyl]acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name8a-ethyl-7-[2-[4-(5-methyltetrazol-1-yl)phenyl]acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID146039717
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name8a-ethyl-7-[2-[4-(5-methyltetrazol-1-yl)phenyl]acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(C(=O)Cc1ccc(-n3nnnc3C)cc1)C2
InChIInChI=1S/C18H22N6O3/c1-3-18-11-22(8-9-23(18)17(26)27-12-18)16(25)10-14-4-6-15(7-5-14)24-13(2)19-20-21-24/h4-7H,3,8-12H2,1-2H3
InChIKeyAIVKNDMUYLGQIT-UHFFFAOYSA-N
XLogP0.96
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
1-(6-hydroxy-1,4-oxazepan-4-yl)-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone
CID 70707776
8a-ethyl-7-(2-phenylmethoxyacetyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 154566446
(3R,4S)-3-(cyclopropylmethyl)-4-hydroxy-1-[2-[4-(5-methyltetrazol-1-yl)phenyl]acetyl]piperidine-3-carboxylic acid
CID 155918605
8a-ethyl-7-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146040402
2-[4-(5-methyltetrazol-1-yl)phenyl]-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 169418719
8a-ethyl-7-[1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 172672286
8a-ethyl-7-(4-oxo-3H-quinazoline-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146046870
1-[(1S,5R)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone
CID 157020005
2-(4-ethoxyphenyl)-1-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30937916
3-[(3,4-dichlorophenyl)methyl]-8-[4-(5-methyltetrazol-1-yl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 44536542
1-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone
CID 135114354

Frequently Asked Questions

What is the IUPAC name of 8a-ethyl-7-[2-[4-(5-methyltetrazol-1-yl)phenyl]acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 8a-ethyl-7-[2-[4-(5-methyltetrazol-1-yl)phenyl]acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 146039717) is 8a-ethyl-7-[2-[4-(5-methyltetrazol-1-yl)phenyl]acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 8a-ethyl-7-[2-[4-(5-methyltetrazol-1-yl)phenyl]acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 8a-ethyl-7-[2-[4-(5-methyltetrazol-1-yl)phenyl]acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is CCC12COC(=O)N1CCN(C(=O)Cc1ccc(-n3nnnc3C)cc1)C2.
What is the InChIKey of 8a-ethyl-7-[2-[4-(5-methyltetrazol-1-yl)phenyl]acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is AIVKNDMUYLGQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-3-18-11-22(8-9-23(18)17(26)27-12-18)16(25)10-14-4-6-15(7-5-14)24-13(2)19-20-21-24/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 8a-ethyl-7-[2-[4-(5-methyltetrazol-1-yl)phenyl]acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
8a-ethyl-7-[2-[4-(5-methyltetrazol-1-yl)phenyl]acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 370.41 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-ethyl-7-[2-[4-(5-methyltetrazol-1-yl)phenyl]acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 146039717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).