2-N-hydroxy-7-N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxamide

C18H18N6O4 — CID 88894901

IUPAC2-N-hydroxy-7-N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxamide
SMILESCc1onc(-c2ccccc2)c1NC(=O)N1CCn2cc(C(=O)NO)nc2C1
InChIInChI=1S/C18H18N6O4/c1-11-15(16(22-28-11)12-5-3-2-4-6-12)20-18(26)24-8-7-23-9-13(17(25)21-27)19-14(23)10-24/h2-6,9,27H,7-8,10H2,1H3,(H,20,26)(H,21,25)
InChIKeyVVINWRNSQWFLHS-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.01
Rot. Bonds3

About 2-N-hydroxy-7-N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxamide

2-N-hydroxy-7-N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxamide (PubChem CID 88894901) has the molecular formula C18H18N6O4 and a molecular weight of 382.38 g/mol. Its IUPAC name is 2-N-hydroxy-7-N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxamide.

Molecular Properties

Compound Name2-N-hydroxy-7-N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxamide
PubChem CID88894901
Molecular FormulaC18H18N6O4
Molecular Weight382.38 g/mol
Exact Mass382.14
IUPAC Name2-N-hydroxy-7-N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxamide
SMILESCc1onc(-c2ccccc2)c1NC(=O)N1CCn2cc(C(=O)NO)nc2C1
InChIInChI=1S/C18H18N6O4/c1-11-15(16(22-28-11)12-5-3-2-4-6-12)20-18(26)24-8-7-23-9-13(17(25)21-27)19-14(23)10-24/h2-6,9,27H,7-8,10H2,1H3,(H,20,26)(H,21,25)
InChIKeyVVINWRNSQWFLHS-UHFFFAOYSA-N
XLogP2.01
TPSA125.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2-N-hydroxy-7-N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxamide?
The IUPAC name of 2-N-hydroxy-7-N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxamide (CID 88894901) is 2-N-hydroxy-7-N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxamide.
What is the SMILES notation for 2-N-hydroxy-7-N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxamide?
The canonical SMILES for 2-N-hydroxy-7-N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxamide is Cc1onc(-c2ccccc2)c1NC(=O)N1CCn2cc(C(=O)NO)nc2C1.
What is the InChIKey of 2-N-hydroxy-7-N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxamide?
The InChIKey is VVINWRNSQWFLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O4/c1-11-15(16(22-28-11)12-5-3-2-4-6-12)20-18(26)24-8-7-23-9-13(17(25)21-27)19-14(23)10-24/h2-6,9,27H,7-8,10H2,1H3,(H,20,26)(H,21,25).
What are the key properties of 2-N-hydroxy-7-N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxamide?
2-N-hydroxy-7-N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxamide has a molecular weight of 382.38 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-hydroxy-7-N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxamide is sourced from PubChem (CID 88894901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).