(4R,7S,8aS)-7-(dimethylamino)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one

C18H23N5O2 — CID 172884266

IUPAC(4R,7S,8aS)-7-(dimethylamino)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCN(C)[C@H]1C[C@H]2C(=O)NC[C@@H](Cc3nnc(-c4ccccc4)o3)N2C1
InChIInChI=1S/C18H23N5O2/c1-22(2)14-8-15-17(24)19-10-13(23(15)11-14)9-16-20-21-18(25-16)12-6-4-3-5-7-12/h3-7,13-15H,8-11H2,1-2H3,(H,19,24)/t13-,14+,15+/m1/s1
InChIKeyRVVLIAJJTPTUON-ILXRZTDVSA-N
MW341.42 g/mol
LogP0.78
Rot. Bonds4

About (4R,7S,8aS)-7-(dimethylamino)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one

(4R,7S,8aS)-7-(dimethylamino)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 172884266) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (4R,7S,8aS)-7-(dimethylamino)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name(4R,7S,8aS)-7-(dimethylamino)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID172884266
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(4R,7S,8aS)-7-(dimethylamino)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCN(C)[C@H]1C[C@H]2C(=O)NC[C@@H](Cc3nnc(-c4ccccc4)o3)N2C1
InChIInChI=1S/C18H23N5O2/c1-22(2)14-8-15-17(24)19-10-13(23(15)11-14)9-16-20-21-18(25-16)12-6-4-3-5-7-12/h3-7,13-15H,8-11H2,1-2H3,(H,19,24)/t13-,14+,15+/m1/s1
InChIKeyRVVLIAJJTPTUON-ILXRZTDVSA-N
XLogP0.78
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R,7S,8aS)-7-(dimethylamino)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one with MolForge

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Related Compounds

(4R,7S,8aS)-7-(dimethylamino)-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 172884387
1-[(4R,7S,8aS)-1-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-benzylurea
CID 172884279
N-[(4R,7S,8aS)-1-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]pyrazine-2-carboxamide
CID 172884252
(4R,7S,8aS)-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-7-(oxan-4-ylamino)-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 172884398
1-[(4R,7S,8aS)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-(2-fluorophenyl)urea
CID 172884333
1-[(4R,7S,8aS)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-(3-chlorophenyl)urea
CID 172884328
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406
N-[(4R,7S,8aS)-1-oxo-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-1,3-thiazole-2-carboxamide
CID 172884369
N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-amine
CID 63641957
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
N-[(4R,7S,8aS)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-methylimidazole-4-carboxamide
CID 172884229
N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 45193091

Frequently Asked Questions

What is the IUPAC name of (4R,7S,8aS)-7-(dimethylamino)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of (4R,7S,8aS)-7-(dimethylamino)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 172884266) is (4R,7S,8aS)-7-(dimethylamino)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for (4R,7S,8aS)-7-(dimethylamino)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for (4R,7S,8aS)-7-(dimethylamino)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one is CN(C)[C@H]1C[C@H]2C(=O)NC[C@@H](Cc3nnc(-c4ccccc4)o3)N2C1.
What is the InChIKey of (4R,7S,8aS)-7-(dimethylamino)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is RVVLIAJJTPTUON-ILXRZTDVSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22(2)14-8-15-17(24)19-10-13(23(15)11-14)9-16-20-21-18(25-16)12-6-4-3-5-7-12/h3-7,13-15H,8-11H2,1-2H3,(H,19,24)/t13-,14+,15+/m1/s1.
What are the key properties of (4R,7S,8aS)-7-(dimethylamino)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
(4R,7S,8aS)-7-(dimethylamino)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 341.42 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7S,8aS)-7-(dimethylamino)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 172884266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).