[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(quinolin-8-yloxymethyl)-1,3-oxazol-4-yl]methanone

C21H22N4O3 — CID 95394174

IUPAC[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(quinolin-8-yloxymethyl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1coc(COc2cccc3cccnc23)n1)N1CCN2CCC[C@@H]2C1
InChIInChI=1S/C21H22N4O3/c26-21(25-11-10-24-9-3-6-16(24)12-25)17-13-28-19(23-17)14-27-18-7-1-4-15-5-2-8-22-20(15)18/h1-2,4-5,7-8,13,16H,3,6,9-12,14H2/t16-/m1/s1
InChIKeyCBZYJDPBLGQCKP-MRXNPFEDSA-N
MW378.43 g/mol
LogP2.72
Rot. Bonds4

About [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(quinolin-8-yloxymethyl)-1,3-oxazol-4-yl]methanone

[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(quinolin-8-yloxymethyl)-1,3-oxazol-4-yl]methanone (PubChem CID 95394174) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(quinolin-8-yloxymethyl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(quinolin-8-yloxymethyl)-1,3-oxazol-4-yl]methanone
PubChem CID95394174
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(quinolin-8-yloxymethyl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1coc(COc2cccc3cccnc23)n1)N1CCN2CCC[C@@H]2C1
InChIInChI=1S/C21H22N4O3/c26-21(25-11-10-24-9-3-6-16(24)12-25)17-13-28-19(23-17)14-27-18-7-1-4-15-5-2-8-22-20(15)18/h1-2,4-5,7-8,13,16H,3,6,9-12,14H2/t16-/m1/s1
InChIKeyCBZYJDPBLGQCKP-MRXNPFEDSA-N
XLogP2.72
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(quinolin-8-yloxymethyl)-1,3-oxazol-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 95552350
[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-[2-(isoquinolin-5-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 56709517
(4-cyclopentylpiperazin-1-yl)-[5-(quinolin-8-yloxymethyl)-1,2-oxazol-3-yl]methanone
CID 42216229
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 95226335
[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazol-4-yl]methanone
CID 95220259
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95200568
N-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 45251660
[2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 42300285
[2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-oxazol-4-yl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
CID 176989674
[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 45229409
ethyl 1-[2-[(2-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate
CID 45247251
N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95209994

Frequently Asked Questions

What is the IUPAC name of [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(quinolin-8-yloxymethyl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(quinolin-8-yloxymethyl)-1,3-oxazol-4-yl]methanone (CID 95394174) is [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(quinolin-8-yloxymethyl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(quinolin-8-yloxymethyl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(quinolin-8-yloxymethyl)-1,3-oxazol-4-yl]methanone is O=C(c1coc(COc2cccc3cccnc23)n1)N1CCN2CCC[C@@H]2C1.
What is the InChIKey of [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(quinolin-8-yloxymethyl)-1,3-oxazol-4-yl]methanone?
The InChIKey is CBZYJDPBLGQCKP-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-21(25-11-10-24-9-3-6-16(24)12-25)17-13-28-19(23-17)14-27-18-7-1-4-15-5-2-8-22-20(15)18/h1-2,4-5,7-8,13,16H,3,6,9-12,14H2/t16-/m1/s1.
What are the key properties of [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(quinolin-8-yloxymethyl)-1,3-oxazol-4-yl]methanone?
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(quinolin-8-yloxymethyl)-1,3-oxazol-4-yl]methanone has a molecular weight of 378.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(quinolin-8-yloxymethyl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 95394174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).