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

C17H21N3OS — CID 71610278

IUPACN-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine
SMILESc1csc(-c2nnc(CNC34CC5CC(CC(C5)C3)C4)o2)c1
InChIInChI=1S/C17H21N3OS/c1-2-14(22-3-1)16-20-19-15(21-16)10-18-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,11-13,18H,4-10H2
InChIKeyZZXCBIJUYZJTTA-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.86
Rot. Bonds4

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

N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine (PubChem CID 71610278) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine
PubChem CID71610278
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine
SMILESc1csc(-c2nnc(CNC34CC5CC(CC(C5)C3)C4)o2)c1
InChIInChI=1S/C17H21N3OS/c1-2-14(22-3-1)16-20-19-15(21-16)10-18-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,11-13,18H,4-10H2
InChIKeyZZXCBIJUYZJTTA-UHFFFAOYSA-N
XLogP3.86
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine?
The IUPAC name of N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine (CID 71610278) is N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine is c1csc(-c2nnc(CNC34CC5CC(CC(C5)C3)C4)o2)c1.
What is the InChIKey of N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine?
The InChIKey is ZZXCBIJUYZJTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-2-14(22-3-1)16-20-19-15(21-16)10-18-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,11-13,18H,4-10H2.
What are the key properties of N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine?
N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine has a molecular weight of 315.44 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 71610278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).