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

C20H21N3O2 — CID 164631506

IUPAC(5-benzyl-1,3-oxazol-2-yl)-[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESCC[C@H]1c2cccn2CCN1C(=O)c1ncc(Cc2ccccc2)o1
InChIInChI=1S/C20H21N3O2/c1-2-17-18-9-6-10-22(18)11-12-23(17)20(24)19-21-14-16(25-19)13-15-7-4-3-5-8-15/h3-10,14,17H,2,11-13H2,1H3/t17-/m0/s1
InChIKeyFWHASVFCHVVJKQ-KRWDZBQOSA-N
MW335.41 g/mol
LogP3.67
Rot. Bonds4

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

(5-benzyl-1,3-oxazol-2-yl)-[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (PubChem CID 164631506) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (5-benzyl-1,3-oxazol-2-yl)-[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(5-benzyl-1,3-oxazol-2-yl)-[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
PubChem CID164631506
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(5-benzyl-1,3-oxazol-2-yl)-[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESCC[C@H]1c2cccn2CCN1C(=O)c1ncc(Cc2ccccc2)o1
InChIInChI=1S/C20H21N3O2/c1-2-17-18-9-6-10-22(18)11-12-23(17)20(24)19-21-14-16(25-19)13-15-7-4-3-5-8-15/h3-10,14,17H,2,11-13H2,1H3/t17-/m0/s1
InChIKeyFWHASVFCHVVJKQ-KRWDZBQOSA-N
XLogP3.67
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-benzyl-1,3-oxazol-2-yl)-[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The IUPAC name of (5-benzyl-1,3-oxazol-2-yl)-[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (CID 164631506) is (5-benzyl-1,3-oxazol-2-yl)-[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.
What is the SMILES notation for (5-benzyl-1,3-oxazol-2-yl)-[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The canonical SMILES for (5-benzyl-1,3-oxazol-2-yl)-[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is CC[C@H]1c2cccn2CCN1C(=O)c1ncc(Cc2ccccc2)o1.
What is the InChIKey of (5-benzyl-1,3-oxazol-2-yl)-[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The InChIKey is FWHASVFCHVVJKQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-17-18-9-6-10-22(18)11-12-23(17)20(24)19-21-14-16(25-19)13-15-7-4-3-5-8-15/h3-10,14,17H,2,11-13H2,1H3/t17-/m0/s1.
What are the key properties of (5-benzyl-1,3-oxazol-2-yl)-[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
(5-benzyl-1,3-oxazol-2-yl)-[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone has a molecular weight of 335.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-1,3-oxazol-2-yl)-[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 164631506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).