[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone

C20H25N3O3 — CID 26392318

IUPAC[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
SMILESCc1cccc(C)c1OCc1cc(C(=O)N2CCN3CCC[C@@H]3C2)no1
InChIInChI=1S/C20H25N3O3/c1-14-5-3-6-15(2)19(14)25-13-17-11-18(21-26-17)20(24)23-10-9-22-8-4-7-16(22)12-23/h3,5-6,11,16H,4,7-10,12-13H2,1-2H3/t16-/m1/s1
InChIKeyVYJNXDBYXHVJGP-MRXNPFEDSA-N
MW355.44 g/mol
LogP2.79
Rot. Bonds4

About [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone

[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone (PubChem CID 26392318) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
PubChem CID26392318
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
SMILESCc1cccc(C)c1OCc1cc(C(=O)N2CCN3CCC[C@@H]3C2)no1
InChIInChI=1S/C20H25N3O3/c1-14-5-3-6-15(2)19(14)25-13-17-11-18(21-26-17)20(24)23-10-9-22-8-4-7-16(22)12-23/h3,5-6,11,16H,4,7-10,12-13H2,1-2H3/t16-/m1/s1
InChIKeyVYJNXDBYXHVJGP-MRXNPFEDSA-N
XLogP2.79
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 24816881
[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 24790866
(3-aminopiperidin-1-yl)-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]methanone;hydrochloride
CID 119381953
(5-methyl-1,2-oxazol-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 45221624
(4-cyclopentylpiperazin-1-yl)-[5-(quinolin-8-yloxymethyl)-1,2-oxazol-3-yl]methanone
CID 42216229
(3-methylpiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone
CID 45185350
[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-(3-methylpiperazin-1-yl)methanone
CID 119580992
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42120570
N-(3-cyclopentylpropyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 42348608
[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 25301894
[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119564152
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1,3-thiazol-4-yl)methanone
CID 63048030

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]-[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone (CID 26392318) is [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone is Cc1cccc(C)c1OCc1cc(C(=O)N2CCN3CCC[C@@H]3C2)no1.
What is the InChIKey of [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is VYJNXDBYXHVJGP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-5-3-6-15(2)19(14)25-13-17-11-18(21-26-17)20(24)23-10-9-22-8-4-7-16(22)12-23/h3,5-6,11,16H,4,7-10,12-13H2,1-2H3/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]-[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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]-[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 26392318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).