2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide

C14H16N4O4 — CID 58465728

IUPAC2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCn2cc(C(=O)NO)cc2C1
InChIInChI=1S/C14H16N4O4/c1-8-12(9(2)22-16-8)14(20)18-4-3-17-6-10(13(19)15-21)5-11(17)7-18/h5-6,21H,3-4,7H2,1-2H3,(H,15,19)
InChIKeyRWZKSHRVFJHIJM-UHFFFAOYSA-N
MW304.31 g/mol
LogP0.87
Rot. Bonds2

About 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide

2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 58465728) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID58465728
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCn2cc(C(=O)NO)cc2C1
InChIInChI=1S/C14H16N4O4/c1-8-12(9(2)22-16-8)14(20)18-4-3-17-6-10(13(19)15-21)5-11(17)7-18/h5-6,21H,3-4,7H2,1-2H3,(H,15,19)
InChIKeyRWZKSHRVFJHIJM-UHFFFAOYSA-N
XLogP0.87
TPSA100.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 121020279
N-hydroxy-2-(4-methoxybenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 87400677
N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 58465642
(3-bromophenyl)-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]methanone
CID 110646688
(3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1247460
5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 133142151
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105652
4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38725800
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134014888
N-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446266
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500616
1,3-benzodioxol-5-yl-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]methanone
CID 36869290

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide (CID 58465728) is 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide is Cc1noc(C)c1C(=O)N1CCn2cc(C(=O)NO)cc2C1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is RWZKSHRVFJHIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-8-12(9(2)22-16-8)14(20)18-4-3-17-6-10(13(19)15-21)5-11(17)7-18/h5-6,21H,3-4,7H2,1-2H3,(H,15,19).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 58465728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).