4-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1,3-oxazole-5-carboxamide

C17H22N4O3 — CID 91920366

IUPAC4-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC1Cn2cccc2C(=O)N1CC(C)C
InChIInChI=1S/C17H22N4O3/c1-11(2)8-21-13(9-20-6-4-5-14(20)17(21)23)7-18-16(22)15-12(3)19-10-24-15/h4-6,10-11,13H,7-9H2,1-3H3,(H,18,22)
InChIKeyRBLJUZKKWALAMH-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.69
Rot. Bonds5

About 4-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1,3-oxazole-5-carboxamide

4-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 91920366) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1,3-oxazole-5-carboxamide
PubChem CID91920366
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name4-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC1Cn2cccc2C(=O)N1CC(C)C
InChIInChI=1S/C17H22N4O3/c1-11(2)8-21-13(9-20-6-4-5-14(20)17(21)23)7-18-16(22)15-12(3)19-10-24-15/h4-6,10-11,13H,7-9H2,1-3H3,(H,18,22)
InChIKeyRBLJUZKKWALAMH-UHFFFAOYSA-N
XLogP1.69
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(1,3-oxazol-5-ylmethyl)-3-N-[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
CID 89726712
US10730889, Example 415
CID 118621383
5-methyl-N-{[(2S)-5-oxo-2-pyrrolidinyl]methyl}-N-(3-pyridinylmethyl)-1,3-oxazole-4-carboxamide
CID 29085707
1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-N-(4-pyridinylmethyl)-2-piperazinecarboxamide
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1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-N-(6-methyl-3-pyridinyl)-2-piperazinecarboxamide
CID 56895642
2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrrole-3-carboxamide
CID 75395391
N-[2-(dimethylamino)ethyl]-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97442827
5-(pyridine-3-carbonyl)-N-(2-pyrrolidin-1-ylethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97442828
[2-(4-Methylpiperazine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone
CID 97442833
[2-(4-Methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone
CID 97442834
5-(pyridine-3-carbonyl)-N-(pyridin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97525793
N-benzyl-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97525798

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1,3-oxazole-5-carboxamide (CID 91920366) is 4-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NCC1Cn2cccc2C(=O)N1CC(C)C.
What is the InChIKey of 4-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is RBLJUZKKWALAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(2)8-21-13(9-20-6-4-5-14(20)17(21)23)7-18-16(22)15-12(3)19-10-24-15/h4-6,10-11,13H,7-9H2,1-3H3,(H,18,22).
What are the key properties of 4-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1,3-oxazole-5-carboxamide?
4-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 91920366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).