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

C17H26N2O — CID 71609760

IUPACN-[(5-propyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine
SMILESCCCc1cc(CNC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C17H26N2O/c1-2-3-16-7-15(19-20-16)11-18-17-8-12-4-13(9-17)6-14(5-12)10-17/h7,12-14,18H,2-6,8-11H2,1H3
InChIKeyXGRRTGCXASLARM-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.69
Rot. Bonds5

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

N-[(5-propyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine (PubChem CID 71609760) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(5-propyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(5-propyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine
PubChem CID71609760
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(5-propyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine
SMILESCCCc1cc(CNC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C17H26N2O/c1-2-3-16-7-15(19-20-16)11-18-17-8-12-4-13(9-17)6-14(5-12)10-17/h7,12-14,18H,2-6,8-11H2,1H3
InChIKeyXGRRTGCXASLARM-UHFFFAOYSA-N
XLogP3.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-propyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine?
The IUPAC name of N-[(5-propyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine (CID 71609760) is N-[(5-propyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(5-propyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(5-propyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine is CCCc1cc(CNC23CC4CC(CC(C4)C2)C3)no1.
What is the InChIKey of N-[(5-propyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine?
The InChIKey is XGRRTGCXASLARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-3-16-7-15(19-20-16)11-18-17-8-12-4-13(9-17)6-14(5-12)10-17/h7,12-14,18H,2-6,8-11H2,1H3.
What are the key properties of N-[(5-propyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine?
N-[(5-propyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 71609760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).