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

C14H18N4O3 — CID 97421871

IUPAC[(8S)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCOCc1cnc2n1CCN(C(=O)c1cc(C)no1)[C@H]2C
InChIInChI=1S/C14H18N4O3/c1-9-6-12(21-16-9)14(19)17-4-5-18-11(8-20-3)7-15-13(18)10(17)2/h6-7,10H,4-5,8H2,1-3H3/t10-/m0/s1
InChIKeyBXOHMPYDKMRLGZ-JTQLQIEISA-N
MW290.32 g/mol
LogP1.54
Rot. Bonds3

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

[(8S)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 97421871) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is [(8S)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(8S)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID97421871
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name[(8S)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCOCc1cnc2n1CCN(C(=O)c1cc(C)no1)[C@H]2C
InChIInChI=1S/C14H18N4O3/c1-9-6-12(21-16-9)14(19)17-4-5-18-11(8-20-3)7-15-13(18)10(17)2/h6-7,10H,4-5,8H2,1-3H3/t10-/m0/s1
InChIKeyBXOHMPYDKMRLGZ-JTQLQIEISA-N
XLogP1.54
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(8S)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1,2-oxazol-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(8S)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [(8S)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (CID 97421871) is [(8S)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(8S)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(8S)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is COCc1cnc2n1CCN(C(=O)c1cc(C)no1)[C@H]2C.
What is the InChIKey of [(8S)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is BXOHMPYDKMRLGZ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9-6-12(21-16-9)14(19)17-4-5-18-11(8-20-3)7-15-13(18)10(17)2/h6-7,10H,4-5,8H2,1-3H3/t10-/m0/s1.
What are the key properties of [(8S)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
[(8S)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 290.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 97421871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).