N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-(3-nitrophenyl)-N-prop-2-enylacetamide;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;3-benzyl-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-nitrophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole

C115H139FN26O13 — CID 157094737

IUPACN-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-(3-nitrophenyl)-N-prop-2-enylacetamide;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;3-benzyl-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-nitrophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
SMILESC=CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)N2.COc1ccc(Cc2noc(C3CCNCC3)n2)cc1.Fc1ccc(Cc2noc(C3CCNCC3)n2)cc1.O=[N+]([O-])c1ccc(Cc2noc(C3CCNCC3)n2)cc1.c1ccc(-c2noc(C3CCNCC3)n2)cc1.c1ccc(Cc2nnc(C3CCNCC3)o2)cc1.c1ccc(Cc2noc(C3CCNCC3)n2)cc1.c1cncc(Cc2noc(C3CCNCC3)n2)c1
InChIInChI=1S/C18H23N3O3.C15H19N3O2.C14H16FN3O.C14H16N4O3.2C14H17N3O.C13H16N4O.C13H15N3O/c1-2-8-20(17-11-14-6-7-15(12-17)19-14)18(22)10-13-4-3-5-16(9-13)21(23)24;1-19-13-4-2-11(3-5-13)10-14-17-15(20-18-14)12-6-8-16-9-7-12;15-12-3-1-10(2-4-12)9-13-17-14(19-18-13)11-5-7-16-8-6-11;19-18(20)12-3-1-10(2-4-12)9-13-16-14(21-17-13)11-5-7-15-8-6-11;1-2-4-11(5-3-1)10-13-16-17-14(18-13)12-6-8-15-9-7-12;1-2-4-11(5-3-1)10-13-16-14(18-17-13)12-6-8-15-9-7-12;1-2-10(9-15-5-1)8-12-16-13(18-17-12)11-3-6-14-7-4-11;1-2-4-10(5-3-1)12-15-13(17-16-12)11-6-8-14-9-7-11/h2-5,9,14-15,17,19H,1,6-8,10-12H2;2-5,12,16H,6-10H2,1H3;1-4,11,16H,5-9H2;1-4,11,15H,5-9H2;2*1-5,12,15H,6-10H2;1-2,5,9,11,14H,3-4,6-8H2;1-5,11,14H,6-9H2/t14-,15+,17?;;;;;;;
InChIKeyAFBNVNJYTAJGAS-YQMARRKASA-N
MW2112.54 g/mol
LogP16.85
Rot. Bonds28

About N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-(3-nitrophenyl)-N-prop-2-enylacetamide;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;3-benzyl-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-nitrophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole

N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-(3-nitrophenyl)-N-prop-2-enylacetamide;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;3-benzyl-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-nitrophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 157094737) has the molecular formula C115H139FN26O13 and a molecular weight of 2112.54 g/mol. Its IUPAC name is N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-(3-nitrophenyl)-N-prop-2-enylacetamide;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;3-benzyl-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-nitrophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound NameN-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-(3-nitrophenyl)-N-prop-2-enylacetamide;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;3-benzyl-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-nitrophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID157094737
Molecular FormulaC115H139FN26O13
Molecular Weight2112.54 g/mol
Exact Mass2111.10
IUPAC NameN-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-(3-nitrophenyl)-N-prop-2-enylacetamide;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;3-benzyl-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-nitrophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
SMILESC=CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)N2.COc1ccc(Cc2noc(C3CCNCC3)n2)cc1.Fc1ccc(Cc2noc(C3CCNCC3)n2)cc1.O=[N+]([O-])c1ccc(Cc2noc(C3CCNCC3)n2)cc1.c1ccc(-c2noc(C3CCNCC3)n2)cc1.c1ccc(Cc2nnc(C3CCNCC3)o2)cc1.c1ccc(Cc2noc(C3CCNCC3)n2)cc1.c1cncc(Cc2noc(C3CCNCC3)n2)c1
InChIInChI=1S/C18H23N3O3.C15H19N3O2.C14H16FN3O.C14H16N4O3.2C14H17N3O.C13H16N4O.C13H15N3O/c1-2-8-20(17-11-14-6-7-15(12-17)19-14)18(22)10-13-4-3-5-16(9-13)21(23)24;1-19-13-4-2-11(3-5-13)10-14-17-15(20-18-14)12-6-8-16-9-7-12;15-12-3-1-10(2-4-12)9-13-17-14(19-18-13)11-5-7-16-8-6-11;19-18(20)12-3-1-10(2-4-12)9-13-16-14(21-17-13)11-5-7-15-8-6-11;1-2-4-11(5-3-1)10-13-16-17-14(18-13)12-6-8-15-9-7-12;1-2-4-11(5-3-1)10-13-16-14(18-17-13)12-6-8-15-9-7-12;1-2-10(9-15-5-1)8-12-16-13(18-17-12)11-3-6-14-7-4-11;1-2-4-10(5-3-1)12-15-13(17-16-12)11-6-8-14-9-7-11/h2-5,9,14-15,17,19H,1,6-8,10-12H2;2-5,12,16H,6-10H2,1H3;1-4,11,16H,5-9H2;1-4,11,15H,5-9H2;2*1-5,12,15H,6-10H2;1-2,5,9,11,14H,3-4,6-8H2;1-5,11,14H,6-9H2/t14-,15+,17?;;;;;;;
InChIKeyAFBNVNJYTAJGAS-YQMARRKASA-N
XLogP16.85
TPSA497.39 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002112.54
LogP ≤ 516.85
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-(3-nitrophenyl)-N-prop-2-enylacetamide;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;3-benzyl-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-nitrophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-nitrophenyl)-N-prop-2-enylpropanamide;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;3-benzyl-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-nitrophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole;5-phenyl-2-piperidin-4-yl-1,3-oxazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 158864140

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-(3-nitrophenyl)-N-prop-2-enylacetamide;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;3-benzyl-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-nitrophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-(3-nitrophenyl)-N-prop-2-enylacetamide;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;3-benzyl-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-nitrophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole (CID 157094737) is N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-(3-nitrophenyl)-N-prop-2-enylacetamide;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;3-benzyl-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-nitrophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-(3-nitrophenyl)-N-prop-2-enylacetamide;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;3-benzyl-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-nitrophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-(3-nitrophenyl)-N-prop-2-enylacetamide;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;3-benzyl-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-nitrophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole is C=CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)N2.COc1ccc(Cc2noc(C3CCNCC3)n2)cc1.Fc1ccc(Cc2noc(C3CCNCC3)n2)cc1.O=[N+]([O-])c1ccc(Cc2noc(C3CCNCC3)n2)cc1.c1ccc(-c2noc(C3CCNCC3)n2)cc1.c1ccc(Cc2nnc(C3CCNCC3)o2)cc1.c1ccc(Cc2noc(C3CCNCC3)n2)cc1.c1cncc(Cc2noc(C3CCNCC3)n2)c1.
What is the InChIKey of N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-(3-nitrophenyl)-N-prop-2-enylacetamide;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;3-benzyl-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-nitrophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is AFBNVNJYTAJGAS-YQMARRKASA-N. The full InChI is InChI=1S/C18H23N3O3.C15H19N3O2.C14H16FN3O.C14H16N4O3.2C14H17N3O.C13H16N4O.C13H15N3O/c1-2-8-20(17-11-14-6-7-15(12-17)19-14)18(22)10-13-4-3-5-16(9-13)21(23)24;1-19-13-4-2-11(3-5-13)10-14-17-15(20-18-14)12-6-8-16-9-7-12;15-12-3-1-10(2-4-12)9-13-17-14(19-18-13)11-5-7-16-8-6-11;19-18(20)12-3-1-10(2-4-12)9-13-16-14(21-17-13)11-5-7-15-8-6-11;1-2-4-11(5-3-1)10-13-16-17-14(18-13)12-6-8-15-9-7-12;1-2-4-11(5-3-1)10-13-16-14(18-17-13)12-6-8-15-9-7-12;1-2-10(9-15-5-1)8-12-16-13(18-17-12)11-3-6-14-7-4-11;1-2-4-10(5-3-1)12-15-13(17-16-12)11-6-8-14-9-7-11/h2-5,9,14-15,17,19H,1,6-8,10-12H2;2-5,12,16H,6-10H2,1H3;1-4,11,16H,5-9H2;1-4,11,15H,5-9H2;2*1-5,12,15H,6-10H2;1-2,5,9,11,14H,3-4,6-8H2;1-5,11,14H,6-9H2/t14-,15+,17?;;;;;;;.
What are the key properties of N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-(3-nitrophenyl)-N-prop-2-enylacetamide;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;3-benzyl-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-nitrophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-(3-nitrophenyl)-N-prop-2-enylacetamide;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;3-benzyl-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-nitrophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 2112.54 g/mol, XLogP of 16.85, 28 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-(3-nitrophenyl)-N-prop-2-enylacetamide;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;3-benzyl-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-nitrophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 157094737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).