2-[[(3aS,6aS)-1-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole

C19H22N4O2S — CID 70736593

IUPAC2-[[(3aS,6aS)-1-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc(CN2CC[C@H]3CN(Cc4nnc(-c5ccco5)o4)C[C@H]32)s1
InChIInChI=1S/C19H22N4O2S/c1-13-4-5-15(26-13)10-23-7-6-14-9-22(11-16(14)23)12-18-20-21-19(25-18)17-3-2-8-24-17/h2-5,8,14,16H,6-7,9-12H2,1H3/t14-,16+/m0/s1
InChIKeyCEHSTCQQEXFBAS-GOEBONIOSA-N
MW370.48 g/mol
LogP3.41
Rot. Bonds5

About 2-[[(3aS,6aS)-1-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole

2-[[(3aS,6aS)-1-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole (PubChem CID 70736593) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-[[(3aS,6aS)-1-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[(3aS,6aS)-1-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
PubChem CID70736593
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name2-[[(3aS,6aS)-1-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc(CN2CC[C@H]3CN(Cc4nnc(-c5ccco5)o4)C[C@H]32)s1
InChIInChI=1S/C19H22N4O2S/c1-13-4-5-15(26-13)10-23-7-6-14-9-22(11-16(14)23)12-18-20-21-19(25-18)17-3-2-8-24-17/h2-5,8,14,16H,6-7,9-12H2,1H3/t14-,16+/m0/s1
InChIKeyCEHSTCQQEXFBAS-GOEBONIOSA-N
XLogP3.41
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[(3aS,6aS)-1-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 63873892
2-(furan-2-yl)-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 53497956
2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
CID 43090469
2-[[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 124753304
1-[(2S)-2-[(2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95307882
[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanol
CID 79833803
2-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 48966203
2-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 135106989
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 95354195
6-[1-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile
CID 154830528
1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylazepan-4-ol
CID 107408294
1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide
CID 134046339

Frequently Asked Questions

What is the IUPAC name of 2-[[(3aS,6aS)-1-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[(3aS,6aS)-1-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole (CID 70736593) is 2-[[(3aS,6aS)-1-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[(3aS,6aS)-1-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[(3aS,6aS)-1-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole is Cc1ccc(CN2CC[C@H]3CN(Cc4nnc(-c5ccco5)o4)C[C@H]32)s1.
What is the InChIKey of 2-[[(3aS,6aS)-1-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The InChIKey is CEHSTCQQEXFBAS-GOEBONIOSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-13-4-5-15(26-13)10-23-7-6-14-9-22(11-16(14)23)12-18-20-21-19(25-18)17-3-2-8-24-17/h2-5,8,14,16H,6-7,9-12H2,1H3/t14-,16+/m0/s1.
What are the key properties of 2-[[(3aS,6aS)-1-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
2-[[(3aS,6aS)-1-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole has a molecular weight of 370.48 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3aS,6aS)-1-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 70736593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).