[(3aR,7aR)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol

C18H23N3O3 — CID 137343387

IUPAC[(3aR,7aR)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
SMILESCc1ccc(-c2noc(CN3C[C@@H]4COCC[C@]4(CO)C3)n2)cc1
InChIInChI=1S/C18H23N3O3/c1-13-2-4-14(5-3-13)17-19-16(24-20-17)9-21-8-15-10-23-7-6-18(15,11-21)12-22/h2-5,15,22H,6-12H2,1H3/t15-,18-/m1/s1
InChIKeyMVPPAKMUPCKYPP-CRAIPNDOSA-N
MW329.40 g/mol
LogP1.88
Rot. Bonds4

About [(3aR,7aR)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol

[(3aR,7aR)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol (PubChem CID 137343387) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is [(3aR,7aR)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol.

Molecular Properties

Compound Name[(3aR,7aR)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
PubChem CID137343387
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name[(3aR,7aR)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
SMILESCc1ccc(-c2noc(CN3C[C@@H]4COCC[C@]4(CO)C3)n2)cc1
InChIInChI=1S/C18H23N3O3/c1-13-2-4-14(5-3-13)17-19-16(24-20-17)9-21-8-15-10-23-7-6-18(15,11-21)12-22/h2-5,15,22H,6-12H2,1H3/t15-,18-/m1/s1
InChIKeyMVPPAKMUPCKYPP-CRAIPNDOSA-N
XLogP1.88
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3aR,7aR)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol with MolForge

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Related Compounds

[(3aR,7aR)-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
CID 137338769
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanol
CID 62370851
[(3aR,7aR)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
CID 137337170
[(3aR,7aR)-2-[(2-fluoro-5-methoxyphenyl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
CID 137343266
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 31695976
3-(4-methylphenyl)-5-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 118785977
5-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
CID 79993658
[(3aR,7aR)-2-[(4-chloro-1-methylindazol-3-yl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
CID 137342820
2-[(3aR,7aR)-7a-(hydroxymethyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 137343109
[(3aR,7aR)-2-[3-(2-methoxyphenoxy)propyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
CID 137343561
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
3-(4-methylphenyl)-5-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 134236199

Frequently Asked Questions

What is the IUPAC name of [(3aR,7aR)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol?
The IUPAC name of [(3aR,7aR)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol (CID 137343387) is [(3aR,7aR)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol.
What is the SMILES notation for [(3aR,7aR)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol?
The canonical SMILES for [(3aR,7aR)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol is Cc1ccc(-c2noc(CN3C[C@@H]4COCC[C@]4(CO)C3)n2)cc1.
What is the InChIKey of [(3aR,7aR)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol?
The InChIKey is MVPPAKMUPCKYPP-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-2-4-14(5-3-13)17-19-16(24-20-17)9-21-8-15-10-23-7-6-18(15,11-21)12-22/h2-5,15,22H,6-12H2,1H3/t15-,18-/m1/s1.
What are the key properties of [(3aR,7aR)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol?
[(3aR,7aR)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol has a molecular weight of 329.40 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,7aR)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol is sourced from PubChem (CID 137343387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).