(5-tert-butyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

C16H21N3O2 — CID 95777570

IUPAC(5-tert-butyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESC[C@H]1c2cccn2CCN1C(=O)c1cc(C(C)(C)C)on1
InChIInChI=1S/C16H21N3O2/c1-11-13-6-5-7-18(13)8-9-19(11)15(20)12-10-14(21-17-12)16(2,3)4/h5-7,10-11H,8-9H2,1-4H3/t11-/m0/s1
InChIKeyVWABRHIREQRZBZ-NSHDSACASA-N
MW287.36 g/mol
LogP2.99
Rot. Bonds1

About (5-tert-butyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

(5-tert-butyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (PubChem CID 95777570) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (5-tert-butyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(5-tert-butyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
PubChem CID95777570
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(5-tert-butyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESC[C@H]1c2cccn2CCN1C(=O)c1cc(C(C)(C)C)on1
InChIInChI=1S/C16H21N3O2/c1-11-13-6-5-7-18(13)8-9-19(11)15(20)12-10-14(21-17-12)16(2,3)4/h5-7,10-11H,8-9H2,1-4H3/t11-/m0/s1
InChIKeyVWABRHIREQRZBZ-NSHDSACASA-N
XLogP2.99
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The IUPAC name of (5-tert-butyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (CID 95777570) is (5-tert-butyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.
What is the SMILES notation for (5-tert-butyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The canonical SMILES for (5-tert-butyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is C[C@H]1c2cccn2CCN1C(=O)c1cc(C(C)(C)C)on1.
What is the InChIKey of (5-tert-butyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The InChIKey is VWABRHIREQRZBZ-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-13-6-5-7-18(13)8-9-19(11)15(20)12-10-14(21-17-12)16(2,3)4/h5-7,10-11H,8-9H2,1-4H3/t11-/m0/s1.
What are the key properties of (5-tert-butyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
(5-tert-butyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone has a molecular weight of 287.36 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 95777570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).