2-[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole

C20H21N5O4 — CID 110236054

IUPAC2-[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESCOc1cc(CN2CCC(c3nnc(-c4cnccn4)o3)C2)cc2c1OCCO2
InChIInChI=1S/C20H21N5O4/c1-26-16-8-13(9-17-18(16)28-7-6-27-17)11-25-5-2-14(12-25)19-23-24-20(29-19)15-10-21-3-4-22-15/h3-4,8-10,14H,2,5-7,11-12H2,1H3
InChIKeyQXCKKWWZALUUAF-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.30
Rot. Bonds5

About 2-[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole

2-[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole (PubChem CID 110236054) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
PubChem CID110236054
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name2-[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESCOc1cc(CN2CCC(c3nnc(-c4cnccn4)o3)C2)cc2c1OCCO2
InChIInChI=1S/C20H21N5O4/c1-26-16-8-13(9-17-18(16)28-7-6-27-17)11-25-5-2-14(12-25)19-23-24-20(29-19)15-10-21-3-4-22-15/h3-4,8-10,14H,2,5-7,11-12H2,1H3
InChIKeyQXCKKWWZALUUAF-UHFFFAOYSA-N
XLogP2.30
TPSA95.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92601774
2-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole
CID 92563198
2-(2-methoxy-5-methylphenyl)-1-[(3S)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 92556137
2-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 75615498
2-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92596398
2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92572835
4-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]pyrimidine
CID 74246946
2-(5-methylthiophen-2-yl)-5-[(3S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole
CID 95849872
2-(4-methoxyphenyl)-5-[1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615482
6-iodo-3-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]imidazo[4,5-b]pyridine
CID 137405283
(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-methyl-1,4-oxazepane
CID 99930964
N,N-dimethyl-4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]aniline
CID 75615327

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole (CID 110236054) is 2-[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole is COc1cc(CN2CCC(c3nnc(-c4cnccn4)o3)C2)cc2c1OCCO2.
What is the InChIKey of 2-[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The InChIKey is QXCKKWWZALUUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-26-16-8-13(9-17-18(16)28-7-6-27-17)11-25-5-2-14(12-25)19-23-24-20(29-19)15-10-21-3-4-22-15/h3-4,8-10,14H,2,5-7,11-12H2,1H3.
What are the key properties of 2-[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
2-[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole has a molecular weight of 395.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 110236054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).