(1,1-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone

C21H23N3O4 — CID 56711979

IUPAC(1,1-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
SMILESCOc1cccc(OCc2nc(C(=O)N3CCn4cccc4C3(C)C)co2)c1
InChIInChI=1S/C21H23N3O4/c1-21(2)18-8-5-9-23(18)10-11-24(21)20(25)17-13-28-19(22-17)14-27-16-7-4-6-15(12-16)26-3/h4-9,12-13H,10-11,14H2,1-3H3
InChIKeyXXRKQINWCCYDBB-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.45
Rot. Bonds5

About (1,1-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone

(1,1-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone (PubChem CID 56711979) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is (1,1-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name(1,1-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
PubChem CID56711979
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name(1,1-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
SMILESCOc1cccc(OCc2nc(C(=O)N3CCn4cccc4C3(C)C)co2)c1
InChIInChI=1S/C21H23N3O4/c1-21(2)18-8-5-9-23(18)10-11-24(21)20(25)17-13-28-19(22-17)14-27-16-7-4-6-15(12-16)26-3/h4-9,12-13H,10-11,14H2,1-3H3
InChIKeyXXRKQINWCCYDBB-UHFFFAOYSA-N
XLogP3.45
TPSA69.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1,1-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 56707470
[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 45229409
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 42508957
2-[(3-methoxyphenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56701984
2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 42147972
2-[(3-methoxyphenoxy)methyl]-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 26403419
2-[(3-methoxyphenoxy)methyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3-oxazole-4-carboxamide
CID 42529315
N-[(3-chlorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 25374266
[(3S)-3-(hydroxymethyl)morpholin-4-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone
CID 95219193
2-[(3-methoxyphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42289594
[(3R)-3-ethylpiperazin-1-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone
CID 95217264
2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 115083847

Frequently Asked Questions

What is the IUPAC name of (1,1-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone?
The IUPAC name of (1,1-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone (CID 56711979) is (1,1-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for (1,1-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone?
The canonical SMILES for (1,1-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone is COc1cccc(OCc2nc(C(=O)N3CCn4cccc4C3(C)C)co2)c1.
What is the InChIKey of (1,1-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone?
The InChIKey is XXRKQINWCCYDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-21(2)18-8-5-9-23(18)10-11-24(21)20(25)17-13-28-19(22-17)14-27-16-7-4-6-15(12-16)26-3/h4-9,12-13H,10-11,14H2,1-3H3.
What are the key properties of (1,1-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone?
(1,1-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone has a molecular weight of 381.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 56711979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).