N-[(8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-5-carboxamide

C13H17N5O4S — CID 134070735

IUPACN-[(8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCC1c2ncc(CNC(=O)c3ccno3)n2CCN1S(C)(=O)=O
InChIInChI=1S/C13H17N5O4S/c1-9-12-14-7-10(8-15-13(19)11-3-4-16-22-11)17(12)5-6-18(9)23(2,20)21/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,19)
InChIKeyJHDNNWLTNWEETA-UHFFFAOYSA-N
MW339.38 g/mol
LogP0.14
Rot. Bonds4

About N-[(8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-5-carboxamide

N-[(8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 134070735) has the molecular formula C13H17N5O4S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-[(8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID134070735
Molecular FormulaC13H17N5O4S
Molecular Weight339.38 g/mol
Exact Mass339.10
IUPAC NameN-[(8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCC1c2ncc(CNC(=O)c3ccno3)n2CCN1S(C)(=O)=O
InChIInChI=1S/C13H17N5O4S/c1-9-12-14-7-10(8-15-13(19)11-3-4-16-22-11)17(12)5-6-18(9)23(2,20)21/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,19)
InChIKeyJHDNNWLTNWEETA-UHFFFAOYSA-N
XLogP0.14
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-5-carboxamide (CID 134070735) is N-[(8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-5-carboxamide is CC1c2ncc(CNC(=O)c3ccno3)n2CCN1S(C)(=O)=O.
What is the InChIKey of N-[(8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is JHDNNWLTNWEETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O4S/c1-9-12-14-7-10(8-15-13(19)11-3-4-16-22-11)17(12)5-6-18(9)23(2,20)21/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,19).
What are the key properties of N-[(8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-5-carboxamide?
N-[(8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 339.38 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 134070735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).