(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

C19H25N5O3 — CID 172884387

IUPAC(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
SMILESCOc1ccc(-c2nnc(C[C@@H]3CNC(=O)[C@@H]4C[C@H](N(C)C)CN34)o2)cc1
InChIInChI=1S/C19H25N5O3/c1-23(2)14-8-16-18(25)20-10-13(24(16)11-14)9-17-21-22-19(27-17)12-4-6-15(26-3)7-5-12/h4-7,13-14,16H,8-11H2,1-3H3,(H,20,25)/t13-,14+,16+/m1/s1
InChIKeyTXQWDMMZDXQOQR-YCPHGPKFSA-N
MW371.44 g/mol
LogP0.79
Rot. Bonds5

About (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

(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 (PubChem CID 172884387) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID172884387
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name(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
SMILESCOc1ccc(-c2nnc(C[C@@H]3CNC(=O)[C@@H]4C[C@H](N(C)C)CN34)o2)cc1
InChIInChI=1S/C19H25N5O3/c1-23(2)14-8-16-18(25)20-10-13(24(16)11-14)9-17-21-22-19(27-17)12-4-6-15(26-3)7-5-12/h4-7,13-14,16H,8-11H2,1-3H3,(H,20,25)/t13-,14+,16+/m1/s1
InChIKeyTXQWDMMZDXQOQR-YCPHGPKFSA-N
XLogP0.79
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

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2-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
CID 121494193
2-[4-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one
CID 131954069
4-[[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one
CID 34690887
2-(4-Methoxyphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
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8-[1-[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 47025053
2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 51137489
2-[(3S)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 51137503
2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc(-c2nnc(C[C@@H]3CNC(=O)[C@@H]4C[C@H](N(C)C)CN34)o2)cc1.
What is the InChIKey of (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?
The InChIKey is TXQWDMMZDXQOQR-YCPHGPKFSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-23(2)14-8-16-18(25)20-10-13(24(16)11-14)9-17-21-22-19(27-17)12-4-6-15(26-3)7-5-12/h4-7,13-14,16H,8-11H2,1-3H3,(H,20,25)/t13-,14+,16+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 371.44 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 172884387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).