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

C18H22N2OS — CID 70680222

IUPACN-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]adamantan-1-amine
SMILESc1csc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)c1
InChIInChI=1S/C18H22N2OS/c1-2-17(22-3-1)16-7-15(20-21-16)11-19-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14,19H,4-6,8-11H2
InChIKeyPBZWFIHUWUZQDJ-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.46
Rot. Bonds4

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

N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]adamantan-1-amine (PubChem CID 70680222) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]adamantan-1-amine
PubChem CID70680222
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]adamantan-1-amine
SMILESc1csc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)c1
InChIInChI=1S/C18H22N2OS/c1-2-17(22-3-1)16-7-15(20-21-16)11-19-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14,19H,4-6,8-11H2
InChIKeyPBZWFIHUWUZQDJ-UHFFFAOYSA-N
XLogP4.46
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]adamantan-1-amine?
The IUPAC name of N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]adamantan-1-amine (CID 70680222) is N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]adamantan-1-amine is c1csc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)c1.
What is the InChIKey of N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]adamantan-1-amine?
The InChIKey is PBZWFIHUWUZQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-2-17(22-3-1)16-7-15(20-21-16)11-19-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14,19H,4-6,8-11H2.
What are the key properties of N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]adamantan-1-amine?
N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]adamantan-1-amine has a molecular weight of 314.45 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 70680222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).