N-[[5-(2-fluoro-6-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine

C21H25FN2O — CID 118215707

IUPACN-[[5-(2-fluoro-6-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
SMILESCc1cccc(F)c1-c1cc(CNC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C21H25FN2O/c1-13-3-2-4-18(22)20(13)19-8-17(24-25-19)12-23-21-9-14-5-15(10-21)7-16(6-14)11-21/h2-4,8,14-16,23H,5-7,9-12H2,1H3
InChIKeyAUGCWPFRXZDVLF-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.85
Rot. Bonds4

About N-[[5-(2-fluoro-6-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine

N-[[5-(2-fluoro-6-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine (PubChem CID 118215707) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is N-[[5-(2-fluoro-6-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-fluoro-6-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
PubChem CID118215707
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC NameN-[[5-(2-fluoro-6-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
SMILESCc1cccc(F)c1-c1cc(CNC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C21H25FN2O/c1-13-3-2-4-18(22)20(13)19-8-17(24-25-19)12-23-21-9-14-5-15(10-21)7-16(6-14)11-21/h2-4,8,14-16,23H,5-7,9-12H2,1H3
InChIKeyAUGCWPFRXZDVLF-UHFFFAOYSA-N
XLogP4.85
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluoro-6-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
The IUPAC name of N-[[5-(2-fluoro-6-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine (CID 118215707) is N-[[5-(2-fluoro-6-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine.
What is the SMILES notation for N-[[5-(2-fluoro-6-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
The canonical SMILES for N-[[5-(2-fluoro-6-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine is Cc1cccc(F)c1-c1cc(CNC23CC4CC(CC(C4)C2)C3)no1.
What is the InChIKey of N-[[5-(2-fluoro-6-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
The InChIKey is AUGCWPFRXZDVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-13-3-2-4-18(22)20(13)19-8-17(24-25-19)12-23-21-9-14-5-15(10-21)7-16(6-14)11-21/h2-4,8,14-16,23H,5-7,9-12H2,1H3.
What are the key properties of N-[[5-(2-fluoro-6-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
N-[[5-(2-fluoro-6-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine has a molecular weight of 340.44 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluoro-6-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine is sourced from PubChem (CID 118215707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).