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

C20H22N4O2 — CID 125009994

IUPAC(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCc1onc(C(C)C)c1C(=O)N1Cc2nccn2C[C@@H]1c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-13(2)19-18(14(3)26-22-19)20(25)24-12-17-21-9-10-23(17)11-16(24)15-7-5-4-6-8-15/h4-10,13,16H,11-12H2,1-3H3/t16-/m1/s1
InChIKeyVGGOLIKJMCHJPN-MRXNPFEDSA-N
MW350.42 g/mol
LogP3.70
Rot. Bonds3

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

(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 125009994) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID125009994
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCc1onc(C(C)C)c1C(=O)N1Cc2nccn2C[C@@H]1c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-13(2)19-18(14(3)26-22-19)20(25)24-12-17-21-9-10-23(17)11-16(24)15-7-5-4-6-8-15/h4-10,13,16H,11-12H2,1-3H3/t16-/m1/s1
InChIKeyVGGOLIKJMCHJPN-MRXNPFEDSA-N
XLogP3.70
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 125009994) is (5-methyl-3-propan-2-yl-1,2-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-3-propan-2-yl-1,2-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is Cc1onc(C(C)C)c1C(=O)N1Cc2nccn2C[C@@H]1c1ccccc1.
What is the InChIKey of (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is VGGOLIKJMCHJPN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13(2)19-18(14(3)26-22-19)20(25)24-12-17-21-9-10-23(17)11-16(24)15-7-5-4-6-8-15/h4-10,13,16H,11-12H2,1-3H3/t16-/m1/s1.
What are the key properties of (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 350.42 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 125009994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).