2-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole

C20H23N5O3 — CID 92563198

IUPAC2-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole
SMILESCOc1ccc(CN2CC[C@@H](c3nnc(-c4cnc(C)cn4)o3)C2)cc1OC
InChIInChI=1S/C20H23N5O3/c1-13-9-22-16(10-21-13)20-24-23-19(28-20)15-6-7-25(12-15)11-14-4-5-17(26-2)18(8-14)27-3/h4-5,8-10,15H,6-7,11-12H2,1-3H3/t15-/m1/s1
InChIKeyTXOSSLDRUXFTOW-OAHLLOKOSA-N
MW381.44 g/mol
LogP2.84
Rot. Bonds6

About 2-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole

2-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole (PubChem CID 92563198) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole
PubChem CID92563198
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole
SMILESCOc1ccc(CN2CC[C@@H](c3nnc(-c4cnc(C)cn4)o3)C2)cc1OC
InChIInChI=1S/C20H23N5O3/c1-13-9-22-16(10-21-13)20-24-23-19(28-20)15-6-7-25(12-15)11-14-4-5-17(26-2)18(8-14)27-3/h4-5,8-10,15H,6-7,11-12H2,1-3H3/t15-/m1/s1
InChIKeyTXOSSLDRUXFTOW-OAHLLOKOSA-N
XLogP2.84
TPSA86.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-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-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole
CID 110236060
3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
CID 92563106
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
2-[1-[[3-(2-methoxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 110236053
2-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 75615498
4-[(3S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136735331
[4-[(dimethylamino)methyl]phenyl]-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 92563190
2-(2-methoxyphenyl)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615471
2-(5-methylthiophen-2-yl)-5-[(3S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole
CID 95849872
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615410
2-(4-methoxyphenyl)-5-[1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615482
2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92601774

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole (CID 92563198) is 2-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole is COc1ccc(CN2CC[C@@H](c3nnc(-c4cnc(C)cn4)o3)C2)cc1OC.
What is the InChIKey of 2-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole?
The InChIKey is TXOSSLDRUXFTOW-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13-9-22-16(10-21-13)20-24-23-19(28-20)15-6-7-25(12-15)11-14-4-5-17(26-2)18(8-14)27-3/h4-5,8-10,15H,6-7,11-12H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole?
2-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole has a molecular weight of 381.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 92563198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).