N-(1-adamantyl)-5-thiophen-2-yl-1,2-oxazol-3-amine

C17H20N2OS — CID 127028083

IUPACN-(1-adamantyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
SMILESc1csc(-c2cc(NC34CC5CC(CC(C5)C3)C4)no2)c1
InChIInChI=1S/C17H20N2OS/c1-2-15(21-3-1)14-7-16(19-20-14)18-17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13H,4-6,8-10H2,(H,18,19)
InChIKeyZPSGDHGAQWNPIF-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.78
Rot. Bonds3

About N-(1-adamantyl)-5-thiophen-2-yl-1,2-oxazol-3-amine

N-(1-adamantyl)-5-thiophen-2-yl-1,2-oxazol-3-amine (PubChem CID 127028083) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(1-adamantyl)-5-thiophen-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-(1-adamantyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
PubChem CID127028083
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(1-adamantyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
SMILESc1csc(-c2cc(NC34CC5CC(CC(C5)C3)C4)no2)c1
InChIInChI=1S/C17H20N2OS/c1-2-15(21-3-1)14-7-16(19-20-14)18-17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13H,4-6,8-10H2,(H,18,19)
InChIKeyZPSGDHGAQWNPIF-UHFFFAOYSA-N
XLogP4.78
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-thiophen-2-yl-1,2-oxazol-3-amine?
The IUPAC name of N-(1-adamantyl)-5-thiophen-2-yl-1,2-oxazol-3-amine (CID 127028083) is N-(1-adamantyl)-5-thiophen-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for N-(1-adamantyl)-5-thiophen-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for N-(1-adamantyl)-5-thiophen-2-yl-1,2-oxazol-3-amine is c1csc(-c2cc(NC34CC5CC(CC(C5)C3)C4)no2)c1.
What is the InChIKey of N-(1-adamantyl)-5-thiophen-2-yl-1,2-oxazol-3-amine?
The InChIKey is ZPSGDHGAQWNPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-2-15(21-3-1)14-7-16(19-20-14)18-17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13H,4-6,8-10H2,(H,18,19).
What are the key properties of N-(1-adamantyl)-5-thiophen-2-yl-1,2-oxazol-3-amine?
N-(1-adamantyl)-5-thiophen-2-yl-1,2-oxazol-3-amine has a molecular weight of 300.43 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-thiophen-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 127028083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).