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

C20H24N2O — CID 72734428

IUPACN-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine
SMILESc1ccc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)cc1
InChIInChI=1S/C20H24N2O/c1-2-4-17(5-3-1)19-9-18(22-23-19)13-21-20-10-14-6-15(11-20)8-16(7-14)12-20/h1-5,9,14-16,21H,6-8,10-13H2
InChIKeyWYKNBRTXQHZUPV-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.40
Rot. Bonds4

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

N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine (PubChem CID 72734428) has the molecular formula C20H24N2O and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine
PubChem CID72734428
Molecular FormulaC20H24N2O
Molecular Weight308.42 g/mol
Exact Mass308.19
IUPAC NameN-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine
SMILESc1ccc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)cc1
InChIInChI=1S/C20H24N2O/c1-2-4-17(5-3-1)19-9-18(22-23-19)13-21-20-10-14-6-15(11-20)8-16(7-14)12-20/h1-5,9,14-16,21H,6-8,10-13H2
InChIKeyWYKNBRTXQHZUPV-UHFFFAOYSA-N
XLogP4.40
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine?
The IUPAC name of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine (CID 72734428) is N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine is c1ccc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)cc1.
What is the InChIKey of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine?
The InChIKey is WYKNBRTXQHZUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-4-17(5-3-1)19-9-18(22-23-19)13-21-20-10-14-6-15(11-20)8-16(7-14)12-20/h1-5,9,14-16,21H,6-8,10-13H2.
What are the key properties of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine?
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine has a molecular weight of 308.42 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 72734428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).