7-(5-chloro-2-methoxyphenyl)sulfonyl-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

C15H19ClN2O5S — CID 146046075

IUPAC7-(5-chloro-2-methoxyphenyl)sulfonyl-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(S(=O)(=O)c1cc(Cl)ccc1OC)C2
InChIInChI=1S/C15H19ClN2O5S/c1-3-15-9-17(6-7-18(15)14(19)23-10-15)24(20,21)13-8-11(16)4-5-12(13)22-2/h4-5,8H,3,6-7,9-10H2,1-2H3
InChIKeyFLOFWLRZOPOBOZ-UHFFFAOYSA-N
MW374.85 g/mol
LogP1.95
Rot. Bonds4

About 7-(5-chloro-2-methoxyphenyl)sulfonyl-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

7-(5-chloro-2-methoxyphenyl)sulfonyl-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 146046075) has the molecular formula C15H19ClN2O5S and a molecular weight of 374.85 g/mol. Its IUPAC name is 7-(5-chloro-2-methoxyphenyl)sulfonyl-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(5-chloro-2-methoxyphenyl)sulfonyl-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID146046075
Molecular FormulaC15H19ClN2O5S
Molecular Weight374.85 g/mol
Exact Mass374.07
IUPAC Name7-(5-chloro-2-methoxyphenyl)sulfonyl-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(S(=O)(=O)c1cc(Cl)ccc1OC)C2
InChIInChI=1S/C15H19ClN2O5S/c1-3-15-9-17(6-7-18(15)14(19)23-10-15)24(20,21)13-8-11(16)4-5-12(13)22-2/h4-5,8H,3,6-7,9-10H2,1-2H3
InChIKeyFLOFWLRZOPOBOZ-UHFFFAOYSA-N
XLogP1.95
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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8a-benzyl-7-(5-chloro-2-methoxybenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
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1-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
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1-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone
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(3aR,6aS)-5-(5-chloro-2-methoxyphenyl)sulfonyl-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
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Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-2-methoxyphenyl)sulfonyl-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7-(5-chloro-2-methoxyphenyl)sulfonyl-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 146046075) is 7-(5-chloro-2-methoxyphenyl)sulfonyl-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7-(5-chloro-2-methoxyphenyl)sulfonyl-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7-(5-chloro-2-methoxyphenyl)sulfonyl-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is CCC12COC(=O)N1CCN(S(=O)(=O)c1cc(Cl)ccc1OC)C2.
What is the InChIKey of 7-(5-chloro-2-methoxyphenyl)sulfonyl-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is FLOFWLRZOPOBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O5S/c1-3-15-9-17(6-7-18(15)14(19)23-10-15)24(20,21)13-8-11(16)4-5-12(13)22-2/h4-5,8H,3,6-7,9-10H2,1-2H3.
What are the key properties of 7-(5-chloro-2-methoxyphenyl)sulfonyl-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7-(5-chloro-2-methoxyphenyl)sulfonyl-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 374.85 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-2-methoxyphenyl)sulfonyl-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 146046075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).