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

C19H30N2OS — CID 71609805

IUPACN-[[5-(2-methyl-2-methylsulfanylpropyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
SMILESCSC(C)(C)Cc1cc(CNC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C19H30N2OS/c1-18(2,23-3)11-17-7-16(21-22-17)12-20-19-8-13-4-14(9-19)6-15(5-13)10-19/h7,13-15,20H,4-6,8-12H2,1-3H3
InChIKeyHUVZUHPSPAQLFE-UHFFFAOYSA-N
MW334.53 g/mol
LogP4.42
Rot. Bonds6

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

N-[[5-(2-methyl-2-methylsulfanylpropyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine (PubChem CID 71609805) has the molecular formula C19H30N2OS and a molecular weight of 334.53 g/mol. Its IUPAC name is N-[[5-(2-methyl-2-methylsulfanylpropyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-methyl-2-methylsulfanylpropyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
PubChem CID71609805
Molecular FormulaC19H30N2OS
Molecular Weight334.53 g/mol
Exact Mass334.21
IUPAC NameN-[[5-(2-methyl-2-methylsulfanylpropyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
SMILESCSC(C)(C)Cc1cc(CNC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C19H30N2OS/c1-18(2,23-3)11-17-7-16(21-22-17)12-20-19-8-13-4-14(9-19)6-15(5-13)10-19/h7,13-15,20H,4-6,8-12H2,1-3H3
InChIKeyHUVZUHPSPAQLFE-UHFFFAOYSA-N
XLogP4.42
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methyl-2-methylsulfanylpropyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
The IUPAC name of N-[[5-(2-methyl-2-methylsulfanylpropyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine (CID 71609805) is N-[[5-(2-methyl-2-methylsulfanylpropyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine.
What is the SMILES notation for N-[[5-(2-methyl-2-methylsulfanylpropyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
The canonical SMILES for N-[[5-(2-methyl-2-methylsulfanylpropyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine is CSC(C)(C)Cc1cc(CNC23CC4CC(CC(C4)C2)C3)no1.
What is the InChIKey of N-[[5-(2-methyl-2-methylsulfanylpropyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
The InChIKey is HUVZUHPSPAQLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2OS/c1-18(2,23-3)11-17-7-16(21-22-17)12-20-19-8-13-4-14(9-19)6-15(5-13)10-19/h7,13-15,20H,4-6,8-12H2,1-3H3.
What are the key properties of N-[[5-(2-methyl-2-methylsulfanylpropyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
N-[[5-(2-methyl-2-methylsulfanylpropyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine has a molecular weight of 334.53 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methyl-2-methylsulfanylpropyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine is sourced from PubChem (CID 71609805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).