3-[2-oxo-2-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-benzoxazol-2-one

C19H19N5O3 — CID 146080679

IUPAC3-[2-oxo-2-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2ccccc21)N1CC2CN(c3cnccn3)CC2C1
InChIInChI=1S/C19H19N5O3/c25-18(12-24-15-3-1-2-4-16(15)27-19(24)26)23-10-13-8-22(9-14(13)11-23)17-7-20-5-6-21-17/h1-7,13-14H,8-12H2
InChIKeyPXAXUFTZYROEKY-UHFFFAOYSA-N
MW365.39 g/mol
LogP0.98
Rot. Bonds3

About 3-[2-oxo-2-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-benzoxazol-2-one

3-[2-oxo-2-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-benzoxazol-2-one (PubChem CID 146080679) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-[2-oxo-2-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-benzoxazol-2-one
PubChem CID146080679
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name3-[2-oxo-2-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2ccccc21)N1CC2CN(c3cnccn3)CC2C1
InChIInChI=1S/C19H19N5O3/c25-18(12-24-15-3-1-2-4-16(15)27-19(24)26)23-10-13-8-22(9-14(13)11-23)17-7-20-5-6-21-17/h1-7,13-14H,8-12H2
InChIKeyPXAXUFTZYROEKY-UHFFFAOYSA-N
XLogP0.98
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[2-oxo-2-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-benzoxazol-2-one with MolForge

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Related Compounds

3-[2-oxo-2-[(2R)-2-pyridin-4-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one
CID 124990788
3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 79029576
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 2093488
3-[2-oxo-2-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 99994008
3-[2-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 122279444
6-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248830
3-[[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274806
3-[2-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 122343474
3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 71786887
3-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 100654309
3-[2-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 122344460
3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 124954995

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-oxo-2-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-benzoxazol-2-one (CID 146080679) is 3-[2-oxo-2-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-oxo-2-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-oxo-2-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-benzoxazol-2-one is O=C(Cn1c(=O)oc2ccccc21)N1CC2CN(c3cnccn3)CC2C1.
What is the InChIKey of 3-[2-oxo-2-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-benzoxazol-2-one?
The InChIKey is PXAXUFTZYROEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-18(12-24-15-3-1-2-4-16(15)27-19(24)26)23-10-13-8-22(9-14(13)11-23)17-7-20-5-6-21-17/h1-7,13-14H,8-12H2.
What are the key properties of 3-[2-oxo-2-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-benzoxazol-2-one?
3-[2-oxo-2-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-benzoxazol-2-one has a molecular weight of 365.39 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 146080679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).