[4-[(dimethylamino)methyl]phenyl]-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone

C21H24N6O2 — CID 92563190

IUPAC[4-[(dimethylamino)methyl]phenyl]-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1cnc(-c2nnc([C@@H]3CCN(C(=O)c4ccc(CN(C)C)cc4)C3)o2)cn1
InChIInChI=1S/C21H24N6O2/c1-14-10-23-18(11-22-14)20-25-24-19(29-20)17-8-9-27(13-17)21(28)16-6-4-15(5-7-16)12-26(2)3/h4-7,10-11,17H,8-9,12-13H2,1-3H3/t17-/m1/s1
InChIKeyJQCRSEQGOGXCMP-QGZVFWFLSA-N
MW392.46 g/mol
LogP2.53
Rot. Bonds5

About [4-[(dimethylamino)methyl]phenyl]-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone

[4-[(dimethylamino)methyl]phenyl]-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 92563190) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]phenyl]-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]phenyl]-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
PubChem CID92563190
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name[4-[(dimethylamino)methyl]phenyl]-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1cnc(-c2nnc([C@@H]3CCN(C(=O)c4ccc(CN(C)C)cc4)C3)o2)cn1
InChIInChI=1S/C21H24N6O2/c1-14-10-23-18(11-22-14)20-25-24-19(29-20)17-8-9-27(13-17)21(28)16-6-4-15(5-7-16)12-26(2)3/h4-7,10-11,17H,8-9,12-13H2,1-3H3/t17-/m1/s1
InChIKeyJQCRSEQGOGXCMP-QGZVFWFLSA-N
XLogP2.53
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-2-[(2S)-oxan-2-yl]ethanone
CID 92563176
(4-methyl-1H-indol-2-yl)-[(3S)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 92561706
[(1S)-3,4-dihydro-1H-isochromen-1-yl]-[(3S)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 92563175
pyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 51137853
[4-[(dimethylamino)methyl]phenyl]-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124955112
2-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole
CID 92563198
[4-[(dimethylamino)methyl]phenyl]-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124945852
[4-(dimethylamino)phenyl]-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 50835044
2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole
CID 110236060
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 121069334
(4-fluorophenyl)-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 132654703
(4-fluoro-1H-indol-2-yl)-[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 92563253

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]phenyl]-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of [4-[(dimethylamino)methyl]phenyl]-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone (CID 92563190) is [4-[(dimethylamino)methyl]phenyl]-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-[(dimethylamino)methyl]phenyl]-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-[(dimethylamino)methyl]phenyl]-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone is Cc1cnc(-c2nnc([C@@H]3CCN(C(=O)c4ccc(CN(C)C)cc4)C3)o2)cn1.
What is the InChIKey of [4-[(dimethylamino)methyl]phenyl]-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is JQCRSEQGOGXCMP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-10-23-18(11-22-14)20-25-24-19(29-20)17-8-9-27(13-17)21(28)16-6-4-15(5-7-16)12-26(2)3/h4-7,10-11,17H,8-9,12-13H2,1-3H3/t17-/m1/s1.
What are the key properties of [4-[(dimethylamino)methyl]phenyl]-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
[4-[(dimethylamino)methyl]phenyl]-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 392.46 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]phenyl]-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92563190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).