2-(1,5-dimethylpyrrol-2-yl)-5-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole

C18H24N6O2 — CID 70704685

IUPAC2-(1,5-dimethylpyrrol-2-yl)-5-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(CN3CCCC3c3nc(C(C)C)no3)o2)n1C
InChIInChI=1S/C18H24N6O2/c1-11(2)16-19-17(26-22-16)14-6-5-9-24(14)10-15-20-21-18(25-15)13-8-7-12(3)23(13)4/h7-8,11,14H,5-6,9-10H2,1-4H3
InChIKeyIQQAGHUKZZWKNY-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.23
Rot. Bonds5

About 2-(1,5-dimethylpyrrol-2-yl)-5-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole

2-(1,5-dimethylpyrrol-2-yl)-5-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 70704685) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrrol-2-yl)-5-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1,5-dimethylpyrrol-2-yl)-5-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID70704685
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-(1,5-dimethylpyrrol-2-yl)-5-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(CN3CCCC3c3nc(C(C)C)no3)o2)n1C
InChIInChI=1S/C18H24N6O2/c1-11(2)16-19-17(26-22-16)14-6-5-9-24(14)10-15-20-21-18(25-15)13-8-7-12(3)23(13)4/h7-8,11,14H,5-6,9-10H2,1-4H3
InChIKeyIQQAGHUKZZWKNY-UHFFFAOYSA-N
XLogP3.23
TPSA86.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(1,5-dimethylpyrrol-2-yl)-5-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(4-fluorophenyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95730501
2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95730107
3-propan-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53204191
3-propan-2-yl-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 91653847
N,N-dimethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]aniline
CID 53191881
methyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate
CID 70706146
5-cyclopropyl-3-[(2R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95780252
2-propan-2-yl-5-[[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95769217
5-[[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 51728138
5-[[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 51728136
5-[(2S)-1-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]piperidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 99931608
5-[(2R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 95133379

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrrol-2-yl)-5-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(1,5-dimethylpyrrol-2-yl)-5-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (CID 70704685) is 2-(1,5-dimethylpyrrol-2-yl)-5-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1,5-dimethylpyrrol-2-yl)-5-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(1,5-dimethylpyrrol-2-yl)-5-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is Cc1ccc(-c2nnc(CN3CCCC3c3nc(C(C)C)no3)o2)n1C.
What is the InChIKey of 2-(1,5-dimethylpyrrol-2-yl)-5-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is IQQAGHUKZZWKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-11(2)16-19-17(26-22-16)14-6-5-9-24(14)10-15-20-21-18(25-15)13-8-7-12(3)23(13)4/h7-8,11,14H,5-6,9-10H2,1-4H3.
What are the key properties of 2-(1,5-dimethylpyrrol-2-yl)-5-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
2-(1,5-dimethylpyrrol-2-yl)-5-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 356.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrrol-2-yl)-5-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 70704685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).