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

C16H24N2O2 — CID 127029643

IUPACN-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
SMILESCOCc1cc(CNC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C16H24N2O2/c1-19-10-15-5-14(18-20-15)9-17-16-6-11-2-12(7-16)4-13(3-11)8-16/h5,11-13,17H,2-4,6-10H2,1H3
InChIKeyDPIWPJBPLCKODJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.88
Rot. Bonds5

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

N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine (PubChem CID 127029643) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
PubChem CID127029643
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
SMILESCOCc1cc(CNC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C16H24N2O2/c1-19-10-15-5-14(18-20-15)9-17-16-6-11-2-12(7-16)4-13(3-11)8-16/h5,11-13,17H,2-4,6-10H2,1H3
InChIKeyDPIWPJBPLCKODJ-UHFFFAOYSA-N
XLogP2.88
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
The IUPAC name of N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine (CID 127029643) is N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine.
What is the SMILES notation for N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
The canonical SMILES for N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine is COCc1cc(CNC23CC4CC(CC(C4)C2)C3)no1.
What is the InChIKey of N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
The InChIKey is DPIWPJBPLCKODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-19-10-15-5-14(18-20-15)9-17-16-6-11-2-12(7-16)4-13(3-11)8-16/h5,11-13,17H,2-4,6-10H2,1H3.
What are the key properties of N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine has a molecular weight of 276.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine is sourced from PubChem (CID 127029643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).