(5-methyl-1,3-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

C17H16N4O2 — CID 124967482

IUPAC(5-methyl-1,3-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCc1ocnc1C(=O)N1Cc2nccn2C[C@@H]1c1ccccc1
InChIInChI=1S/C17H16N4O2/c1-12-16(19-11-23-12)17(22)21-10-15-18-7-8-20(15)9-14(21)13-5-3-2-4-6-13/h2-8,11,14H,9-10H2,1H3/t14-/m1/s1
InChIKeyITKJSPLLSVSWTR-CQSZACIVSA-N
MW308.34 g/mol
LogP2.58
Rot. Bonds2

About (5-methyl-1,3-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

(5-methyl-1,3-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 124967482) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (5-methyl-1,3-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,3-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID124967482
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name(5-methyl-1,3-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCc1ocnc1C(=O)N1Cc2nccn2C[C@@H]1c1ccccc1
InChIInChI=1S/C17H16N4O2/c1-12-16(19-11-23-12)17(22)21-10-15-18-7-8-20(15)9-14(21)13-5-3-2-4-6-13/h2-8,11,14H,9-10H2,1H3/t14-/m1/s1
InChIKeyITKJSPLLSVSWTR-CQSZACIVSA-N
XLogP2.58
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of (5-methyl-1,3-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 124967482) is (5-methyl-1,3-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (5-methyl-1,3-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for (5-methyl-1,3-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is Cc1ocnc1C(=O)N1Cc2nccn2C[C@@H]1c1ccccc1.
What is the InChIKey of (5-methyl-1,3-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is ITKJSPLLSVSWTR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-16(19-11-23-12)17(22)21-10-15-18-7-8-20(15)9-14(21)13-5-3-2-4-6-13/h2-8,11,14H,9-10H2,1H3/t14-/m1/s1.
What are the key properties of (5-methyl-1,3-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
(5-methyl-1,3-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 308.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 124967482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).