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

C16H21N3O2 — CID 47022072

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCn2cccc2C1C
InChIInChI=1S/C16H21N3O2/c1-11-14(13(3)21-17-11)6-7-16(20)19-10-9-18-8-4-5-15(18)12(19)2/h4-5,8,12H,6-7,9-10H2,1-3H3
InChIKeyBECRFFDRGYFCGW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.63
Rot. Bonds3

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

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one (PubChem CID 47022072) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one
PubChem CID47022072
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCn2cccc2C1C
InChIInChI=1S/C16H21N3O2/c1-11-14(13(3)21-17-11)6-7-16(20)19-10-9-18-8-4-5-15(18)12(19)2/h4-5,8,12H,6-7,9-10H2,1-3H3
InChIKeyBECRFFDRGYFCGW-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide
CID 38303916
3-(5-Chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
CID 48389011
(3-Methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 51076263
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 51078934
(3-Methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53550968
3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 53551048
N,3,5-trimethyl-N-(1-pyridin-3-ylethyl)isoxazole-4-carboxamide
CID 56739906
N,1-dimethyl-N-{[3-(3-pyridinyl)-5-isoxazolyl]methyl}-1H-pyrrole-2-carboxamide
CID 70729154
N-[(5-cyclopropyl-3-isoxazolyl)methyl]-N-methyl-2-(3-pyridinyl)-2-(1-pyrrolidinyl)acetamide
CID 72847227
5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-N-methylpyridine-2,5-dicarboxamide
CID 75462392
pyridin-3-yl-[3-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 97405644
pyridin-4-yl-[3-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 97405645

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one (CID 47022072) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one is Cc1noc(C)c1CCC(=O)N1CCn2cccc2C1C.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one?
The InChIKey is BECRFFDRGYFCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-14(13(3)21-17-11)6-7-16(20)19-10-9-18-8-4-5-15(18)12(19)2/h4-5,8,12H,6-7,9-10H2,1-3H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one has a molecular weight of 287.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one is sourced from PubChem (CID 47022072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).