1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

C21H22N6O2 — CID 74610554

IUPAC1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCN(Cc1nc(-c2cccnc2)no1)CC1CNNC1c1cc2ccccc2o1
InChIInChI=1S/C21H22N6O2/c1-27(13-19-24-21(26-29-19)15-6-4-8-22-10-15)12-16-11-23-25-20(16)18-9-14-5-2-3-7-17(14)28-18/h2-10,16,20,23,25H,11-13H2,1H3
InChIKeyRACQOVFIBXWUSX-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.77
Rot. Bonds6

About 1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 74610554) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID74610554
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCN(Cc1nc(-c2cccnc2)no1)CC1CNNC1c1cc2ccccc2o1
InChIInChI=1S/C21H22N6O2/c1-27(13-19-24-21(26-29-19)15-6-4-8-22-10-15)12-16-11-23-25-20(16)18-9-14-5-2-3-7-17(14)28-18/h2-10,16,20,23,25H,11-13H2,1H3
InChIKeyRACQOVFIBXWUSX-UHFFFAOYSA-N
XLogP2.77
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine with MolForge

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Related Compounds

4-[[methyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
CID 118779674
N-methyl-1-(1-phenylpyrazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 56888809
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
CID 54592854
1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 42946170
3-pyridin-3-yl-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120836941
N-methyl-1-phenyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 71977773
(1S)-1-(2-chlorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 94421822
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 60708436
N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride
CID 154895780
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 66188094
1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 51310511
N-methyl-2,4-dioxo-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-6-carboxamide
CID 70736396

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 74610554) is 1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is CN(Cc1nc(-c2cccnc2)no1)CC1CNNC1c1cc2ccccc2o1.
What is the InChIKey of 1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is RACQOVFIBXWUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-27(13-19-24-21(26-29-19)15-6-4-8-22-10-15)12-16-11-23-25-20(16)18-9-14-5-2-3-7-17(14)28-18/h2-10,16,20,23,25H,11-13H2,1H3.
What are the key properties of 1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 390.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 74610554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).