3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one

C16H20N4O2 — CID 97095023

IUPAC3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one
SMILESC[C@H]1c2cccn2CCN1C(=O)CCc1nc(C2CC2)no1
InChIInChI=1S/C16H20N4O2/c1-11-13-3-2-8-19(13)9-10-20(11)15(21)7-6-14-17-16(18-22-14)12-4-5-12/h2-3,8,11-12H,4-7,9-10H2,1H3/t11-/m0/s1
InChIKeyUPPCAKJCMKAGGF-NSHDSACASA-N
MW300.36 g/mol
LogP2.28
Rot. Bonds4

About 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one (PubChem CID 97095023) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one
PubChem CID97095023
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one
SMILESC[C@H]1c2cccn2CCN1C(=O)CCc1nc(C2CC2)no1
InChIInChI=1S/C16H20N4O2/c1-11-13-3-2-8-19(13)9-10-20(11)15(21)7-6-14-17-16(18-22-14)12-4-5-12/h2-3,8,11-12H,4-7,9-10H2,1H3/t11-/m0/s1
InChIKeyUPPCAKJCMKAGGF-NSHDSACASA-N
XLogP2.28
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one with MolForge

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Related Compounds

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1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 95206997
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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one?
The IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one (CID 97095023) is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one.
What is the SMILES notation for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one?
The canonical SMILES for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one is C[C@H]1c2cccn2CCN1C(=O)CCc1nc(C2CC2)no1.
What is the InChIKey of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one?
The InChIKey is UPPCAKJCMKAGGF-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-13-3-2-8-19(13)9-10-20(11)15(21)7-6-14-17-16(18-22-14)12-4-5-12/h2-3,8,11-12H,4-7,9-10H2,1H3/t11-/m0/s1.
What are the key properties of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one?
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one has a molecular weight of 300.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one is sourced from PubChem (CID 97095023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).