1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one

C17H23N5O3 — CID 110105894

IUPAC1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
SMILESCOc1cc(CCC(=O)N2CCCC2c2cncc(N(C)C)n2)on1
InChIInChI=1S/C17H23N5O3/c1-21(2)15-11-18-10-13(19-15)14-5-4-8-22(14)17(23)7-6-12-9-16(24-3)20-25-12/h9-11,14H,4-8H2,1-3H3
InChIKeyNVYCIZCWANXCMV-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.84
Rot. Bonds6

About 1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one

1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one (PubChem CID 110105894) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
PubChem CID110105894
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
SMILESCOc1cc(CCC(=O)N2CCCC2c2cncc(N(C)C)n2)on1
InChIInChI=1S/C17H23N5O3/c1-21(2)15-11-18-10-13(19-15)14-5-4-8-22(14)17(23)7-6-12-9-16(24-3)20-25-12/h9-11,14H,4-8H2,1-3H3
InChIKeyNVYCIZCWANXCMV-UHFFFAOYSA-N
XLogP1.84
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one with MolForge

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Related Compounds

1-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 124943361
1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 127247042
1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 124962035
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 127247055
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 125023544
2-(benzotriazol-2-yl)-1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124982957
2-[(2R)-1-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 135963347
1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 127247057
1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 110219169
1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 124977676
2,3-dihydro-1H-inden-5-yl-[(2S)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 124976327
3-(3-methoxy-1,2-oxazol-5-yl)-1-[2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidin-1-yl]propan-1-one
CID 110103668

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one?
The IUPAC name of 1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one (CID 110105894) is 1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one?
The canonical SMILES for 1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one is COc1cc(CCC(=O)N2CCCC2c2cncc(N(C)C)n2)on1.
What is the InChIKey of 1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one?
The InChIKey is NVYCIZCWANXCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-21(2)15-11-18-10-13(19-15)14-5-4-8-22(14)17(23)7-6-12-9-16(24-3)20-25-12/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one?
1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one has a molecular weight of 345.40 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one is sourced from PubChem (CID 110105894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).