(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethyl-1,2-oxazol-5-yl)methanone

C16H21N3O2 — CID 43818828

IUPAC(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethyl-1,2-oxazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CCn3c(C)ccc3C2CC)on1
InChIInChI=1S/C16H21N3O2/c1-4-12-10-15(21-17-12)16(20)19-9-8-18-11(3)6-7-14(18)13(19)5-2/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyJCIPDCKRCHCFSB-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.95
Rot. Bonds3

About (1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethyl-1,2-oxazol-5-yl)methanone

(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethyl-1,2-oxazol-5-yl)methanone (PubChem CID 43818828) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethyl-1,2-oxazol-5-yl)methanone
PubChem CID43818828
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethyl-1,2-oxazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CCn3c(C)ccc3C2CC)on1
InChIInChI=1S/C16H21N3O2/c1-4-12-10-15(21-17-12)16(20)19-9-8-18-11(3)6-7-14(18)13(19)5-2/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyJCIPDCKRCHCFSB-UHFFFAOYSA-N
XLogP2.95
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone
CID 16672035
(1S)-1-ethyl-6-methyl-N-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92703590
(1R)-N-(3-chloro-4-fluorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92703589
1-ethyl-N-[(4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 22510864
ethyl 4-[[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate
CID 92703552
(3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124978611
(3-ethyl-1,2-oxazol-5-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45205865
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124966215
(3-ethyl-1,2-oxazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110114705
3-ethyl-1,2-oxazole-5-carboxamide
CID 22456645
6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114851
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124972211

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of (1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethyl-1,2-oxazol-5-yl)methanone (CID 43818828) is (1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for (1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for (1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethyl-1,2-oxazol-5-yl)methanone is CCc1cc(C(=O)N2CCn3c(C)ccc3C2CC)on1.
What is the InChIKey of (1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethyl-1,2-oxazol-5-yl)methanone?
The InChIKey is JCIPDCKRCHCFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-12-10-15(21-17-12)16(20)19-9-8-18-11(3)6-7-14(18)13(19)5-2/h6-7,10,13H,4-5,8-9H2,1-3H3.
What are the key properties of (1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethyl-1,2-oxazol-5-yl)methanone?
(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethyl-1,2-oxazol-5-yl)methanone has a molecular weight of 287.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 43818828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).