N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine

C68H101N13O6 — CID 159098957

About N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine

N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine (PubChem CID 159098957) has the molecular formula C68H101N13O6 and a molecular weight of 1196.64 g/mol. Its IUPAC name is N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine.

Molecular Properties

• Compound Name: N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine
• PubChem CID: 159098957
• Molecular Formula: C68H101N13O6
• Molecular Weight: 1196.64 g/mol
• Exact Mass: 1195.80
• IUPAC Name: N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine
• SMILES: C1CCC(c2nc(CNC34CC5CC(CC(C5)C3)C4)no2)CC1.CCCc1nc(CNC23CC4CC(CC(C4)C2)C3)no1.COCc1nc(CNC23CC4CC(CC(C4)C2)C3)no1.Cc1noc(C)c1-c1nc(CNC23CC4CC(CC(C4)C2)C3)no1
• InChI: InChI=1S/C19H29N3O.C18H24N4O2.C16H25N3O.C15H23N3O2/c1-2-4-16(5-3-1)18-21-17(22-23-18)12-20-19-9-13-6-14(10-19)8-15(7-13)11-19;1-10-16(11(2)23-21-10)17-20-15(22-24-17)9-19-18-6-12-3-13(7-18)5-14(4-12)8-18;1-2-3-15-18-14(19-20-15)10-17-16-7-11-4-12(8-16)6-13(5-11)9-16;1-19-9-14-17-13(18-20-14)8-16-15-5-10-2-11(6-15)4-12(3-10)7-15/h13-16,20H,1-12H2;12-14,19H,3-9H2,1-2H3;11-13,17H,2-10H2,1H3;10-12,16H,2-9H2,1H3
• InChIKey: KDAMMTQQBBKWRK-UHFFFAOYSA-N
• XLogP: 12.93
• TPSA: 239.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1196.64
LogP ≤ 5	12.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine?

The IUPAC name of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine (CID 159098957) is N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine.

What is the SMILES notation for N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine?

The canonical SMILES for N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine is C1CCC(c2nc(CNC34CC5CC(CC(C5)C3)C4)no2)CC1.CCCc1nc(CNC23CC4CC(CC(C4)C2)C3)no1.COCc1nc(CNC23CC4CC(CC(C4)C2)C3)no1.Cc1noc(C)c1-c1nc(CNC23CC4CC(CC(C4)C2)C3)no1.

What is the InChIKey of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine?

The InChIKey is KDAMMTQQBBKWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.C18H24N4O2.C16H25N3O.C15H23N3O2/c1-2-4-16(5-3-1)18-21-17(22-23-18)12-20-19-9-13-6-14(10-19)8-15(7-13)11-19;1-10-16(11(2)23-21-10)17-20-15(22-24-17)9-19-18-6-12-3-13(7-18)5-14(4-12)8-18;1-2-3-15-18-14(19-20-15)10-17-16-7-11-4-12(8-16)6-13(5-11)9-16;1-19-9-14-17-13(18-20-14)8-16-15-5-10-2-11(6-15)4-12(3-10)7-15/h13-16,20H,1-12H2;12-14,19H,3-9H2,1-2H3;11-13,17H,2-10H2,1H3;10-12,16H,2-9H2,1H3.

What are the key properties of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine?

N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine has a molecular weight of 1196.64 g/mol, XLogP of 12.93, 18 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]adamantan-1-amine;N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 159098957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).