(1R,2R,6R,7S,8R)-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]tricyclo[5.2.1.02,6]decan-8-amine

C24H33N3O2 — CID 124822684

IUPAC(1R,2R,6R,7S,8R)-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCOc1ccc(-c2noc(CCCCCN[C@@H]3C[C@H]4C[C@H]3[C@@H]3CCC[C@H]43)n2)cc1
InChIInChI=1S/C24H33N3O2/c1-28-18-11-9-16(10-12-18)24-26-23(29-27-24)8-3-2-4-13-25-22-15-17-14-21(22)20-7-5-6-19(17)20/h9-12,17,19-22,25H,2-8,13-15H2,1H3/t17-,19-,20-,21+,22-/m1/s1
InChIKeyASEXFLDCJZRTEU-OHLDOZIISA-N
MW395.55 g/mol
LogP4.87
Rot. Bonds9

About (1R,2R,6R,7S,8R)-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]tricyclo[5.2.1.02,6]decan-8-amine

(1R,2R,6R,7S,8R)-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 124822684) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is (1R,2R,6R,7S,8R)-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound Name(1R,2R,6R,7S,8R)-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID124822684
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name(1R,2R,6R,7S,8R)-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCOc1ccc(-c2noc(CCCCCN[C@@H]3C[C@H]4C[C@H]3[C@@H]3CCC[C@H]43)n2)cc1
InChIInChI=1S/C24H33N3O2/c1-28-18-11-9-16(10-12-18)24-26-23(29-27-24)8-3-2-4-13-25-22-15-17-14-21(22)20-7-5-6-19(17)20/h9-12,17,19-22,25H,2-8,13-15H2,1H3/t17-,19-,20-,21+,22-/m1/s1
InChIKeyASEXFLDCJZRTEU-OHLDOZIISA-N
XLogP4.87
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R,2R,6R,7S,8R)-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]tricyclo[5.2.1.02,6]decan-8-amine with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43392190
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]acetamide
CID 11923534
N-cyclopentyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2984448
N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide
CID 41365420
N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8964257
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
CID 60837895
5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 888719
N-methyl-4-[5-[4-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]benzamide
CID 154660937
1-benzyl-3-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylguanidine
CID 110952976
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 119948139
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-nonylpropanamide
CID 55554395
4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 51064588

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,7S,8R)-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of (1R,2R,6R,7S,8R)-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 124822684) is (1R,2R,6R,7S,8R)-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for (1R,2R,6R,7S,8R)-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for (1R,2R,6R,7S,8R)-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]tricyclo[5.2.1.02,6]decan-8-amine is COc1ccc(-c2noc(CCCCCN[C@@H]3C[C@H]4C[C@H]3[C@@H]3CCC[C@H]43)n2)cc1.
What is the InChIKey of (1R,2R,6R,7S,8R)-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is ASEXFLDCJZRTEU-OHLDOZIISA-N. The full InChI is InChI=1S/C24H33N3O2/c1-28-18-11-9-16(10-12-18)24-26-23(29-27-24)8-3-2-4-13-25-22-15-17-14-21(22)20-7-5-6-19(17)20/h9-12,17,19-22,25H,2-8,13-15H2,1H3/t17-,19-,20-,21+,22-/m1/s1.
What are the key properties of (1R,2R,6R,7S,8R)-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]tricyclo[5.2.1.02,6]decan-8-amine?
(1R,2R,6R,7S,8R)-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 395.55 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,7S,8R)-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 124822684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).