5-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

C18H24N4O2 — CID 138026346

IUPAC5-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CN3C[C@@H]4CN(C)C[C@]4(C)C3)n2)cc1
InChIInChI=1S/C18H24N4O2/c1-18-11-21(2)8-14(18)9-22(12-18)10-16-19-17(20-24-16)13-4-6-15(23-3)7-5-13/h4-7,14H,8-12H2,1-3H3/t14-,18+/m0/s1
InChIKeyJFWIMLYAVNRYSU-KBXCAEBGSA-N
MW328.42 g/mol
LogP2.13
Rot. Bonds4

About 5-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

5-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 138026346) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID138026346
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CN3C[C@@H]4CN(C)C[C@]4(C)C3)n2)cc1
InChIInChI=1S/C18H24N4O2/c1-18-11-21(2)8-14(18)9-22(12-18)10-16-19-17(20-24-16)13-4-6-15(23-3)7-5-13/h4-7,14H,8-12H2,1-3H3/t14-,18+/m0/s1
InChIKeyJFWIMLYAVNRYSU-KBXCAEBGSA-N
XLogP2.13
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

(2R)-4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine
CID 33026890
(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 78963710
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774978
(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905454
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908822
3-(4-methoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazole
CID 154771153
3-(4-methoxyphenyl)-5-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 25280159
[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 38148884
3-(4-methoxyphenyl)-5-[[4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55648707
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 957363
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 17481191
3-(4-methoxyphenyl)-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42383127

Frequently Asked Questions

What is the IUPAC name of 5-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 138026346) is 5-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(CN3C[C@@H]4CN(C)C[C@]4(C)C3)n2)cc1.
What is the InChIKey of 5-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is JFWIMLYAVNRYSU-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-18-11-21(2)8-14(18)9-22(12-18)10-16-19-17(20-24-16)13-4-6-15(23-3)7-5-13/h4-7,14H,8-12H2,1-3H3/t14-,18+/m0/s1.
What are the key properties of 5-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
5-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 328.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 138026346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).