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

C20H20N4O3 — CID 91909747

IUPACN-[(2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC1Cn2cccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C20H20N4O3/c1-14-18(27-13-22-14)19(25)21-10-16-12-23-9-5-8-17(23)20(26)24(16)11-15-6-3-2-4-7-15/h2-9,13,16H,10-12H2,1H3,(H,21,25)
InChIKeySRDLJGDKZVOQNY-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.24
Rot. Bonds5

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

N-[(2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 91909747) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[(2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID91909747
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[(2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC1Cn2cccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C20H20N4O3/c1-14-18(27-13-22-14)19(25)21-10-16-12-23-9-5-8-17(23)20(26)24(16)11-15-6-3-2-4-7-15/h2-9,13,16H,10-12H2,1H3,(H,21,25)
InChIKeySRDLJGDKZVOQNY-UHFFFAOYSA-N
XLogP2.24
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 91909747) is N-[(2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NCC1Cn2cccc2C(=O)N1Cc1ccccc1.
What is the InChIKey of N-[(2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is SRDLJGDKZVOQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14-18(27-13-22-14)19(25)21-10-16-12-23-9-5-8-17(23)20(26)24(16)11-15-6-3-2-4-7-15/h2-9,13,16H,10-12H2,1H3,(H,21,25).
What are the key properties of N-[(2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[(2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 91909747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).