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

C14H16N4O3 — CID 110876518

IUPAC4-methyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC1Cn2cccc2C(=O)N1C
InChIInChI=1S/C14H16N4O3/c1-9-12(21-8-16-9)13(19)15-6-10-7-18-5-3-4-11(18)14(20)17(10)2/h3-5,8,10H,6-7H2,1-2H3,(H,15,19)
InChIKeyGJHZUUSLFAVNFD-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.67
Rot. Bonds3

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

4-methyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,3-oxazole-5-carboxamide (PubChem CID 110876518) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-methyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,3-oxazole-5-carboxamide
PubChem CID110876518
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name4-methyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC1Cn2cccc2C(=O)N1C
InChIInChI=1S/C14H16N4O3/c1-9-12(21-8-16-9)13(19)15-6-10-7-18-5-3-4-11(18)14(20)17(10)2/h3-5,8,10H,6-7H2,1-2H3,(H,15,19)
InChIKeyGJHZUUSLFAVNFD-UHFFFAOYSA-N
XLogP0.67
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methyl-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-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,3-oxazole-5-carboxamide (CID 110876518) is 4-methyl-N-[(2-methyl-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-methyl-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-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NCC1Cn2cccc2C(=O)N1C.
What is the InChIKey of 4-methyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is GJHZUUSLFAVNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-12(21-8-16-9)13(19)15-6-10-7-18-5-3-4-11(18)14(20)17(10)2/h3-5,8,10H,6-7H2,1-2H3,(H,15,19).
What are the key properties of 4-methyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,3-oxazole-5-carboxamide?
4-methyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110876518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).