N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]adamantan-1-amine

C73H90N8O3S5 — CID 159118324

About N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]adamantan-1-amine

N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]adamantan-1-amine (PubChem CID 159118324) has the molecular formula C73H90N8O3S5 and a molecular weight of 1287.91 g/mol. Its IUPAC name is N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]adamantan-1-amine.

Molecular Properties

• Compound Name: N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]adamantan-1-amine
• PubChem CID: 159118324
• Molecular Formula: C73H90N8O3S5
• Molecular Weight: 1287.91 g/mol
• Exact Mass: 1286.57
• IUPAC Name: N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]adamantan-1-amine
• SMILES: Cc1oc(-c2cccs2)nc1CNC12CC3CC(CC(C3)C1)C2.c1cc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)co2)cs1.c1csc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)co2)c1.c1csc(-c2ncc(CNC34CC5CC(CC(C5)C3)C4)s2)c1
• InChI: InChI=1S/C19H24N2OS.2C18H22N2OS.C18H22N2S2/c1-12-16(21-18(22-12)17-3-2-4-23-17)11-20-19-8-13-5-14(9-19)7-15(6-13)10-19;1-2-22-11-15(1)17-20-16(10-21-17)9-19-18-6-12-3-13(7-18)5-14(4-12)8-18;1-2-16(22-3-1)17-20-15(11-21-17)10-19-18-7-12-4-13(8-18)6-14(5-12)9-18;1-2-16(21-3-1)17-19-10-15(22-17)11-20-18-7-12-4-13(8-18)6-14(5-12)9-18/h2-4,13-15,20H,5-11H2,1H3;1-2,10-14,19H,3-9H2;1-3,11-14,19H,4-10H2;1-3,10,12-14,20H,4-9,11H2
• InChIKey: KFJBBWPGFPCSRR-UHFFFAOYSA-N
• XLogP: 18.62
• TPSA: 139.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1287.91
LogP ≤ 5	18.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]adamantan-1-amine?

The IUPAC name of N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]adamantan-1-amine (CID 159118324) is N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]adamantan-1-amine.

What is the SMILES notation for N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]adamantan-1-amine?

The canonical SMILES for N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]adamantan-1-amine is Cc1oc(-c2cccs2)nc1CNC12CC3CC(CC(C3)C1)C2.c1cc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)co2)cs1.c1csc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)co2)c1.c1csc(-c2ncc(CNC34CC5CC(CC(C5)C3)C4)s2)c1.

What is the InChIKey of N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]adamantan-1-amine?

The InChIKey is KFJBBWPGFPCSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS.2C18H22N2OS.C18H22N2S2/c1-12-16(21-18(22-12)17-3-2-4-23-17)11-20-19-8-13-5-14(9-19)7-15(6-13)10-19;1-2-22-11-15(1)17-20-16(10-21-17)9-19-18-6-12-3-13(7-18)5-14(4-12)8-18;1-2-16(22-3-1)17-20-15(11-21-17)10-19-18-7-12-4-13(8-18)6-14(5-12)9-18;1-2-16(21-3-1)17-19-10-15(22-17)11-20-18-7-12-4-13(8-18)6-14(5-12)9-18/h2-4,13-15,20H,5-11H2,1H3;1-2,10-14,19H,3-9H2;1-3,11-14,19H,4-10H2;1-3,10,12-14,20H,4-9,11H2.

What are the key properties of N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]adamantan-1-amine?

N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]adamantan-1-amine has a molecular weight of 1287.91 g/mol, XLogP of 18.62, 16 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 159118324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).