N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine

C18H28N2O — CID 81100600

IUPACN-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncoc1C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H28N2O/c1-11(2)8-19-9-16-18(21-10-20-16)17-14-4-12-3-13(6-14)7-15(17)5-12/h10-15,17,19H,3-9H2,1-2H3
InChIKeyGUAFULOTTZWSMP-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.96
Rot. Bonds5

About N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 81100600) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID81100600
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncoc1C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H28N2O/c1-11(2)8-19-9-16-18(21-10-20-16)17-14-4-12-3-13(6-14)7-15(17)5-12/h10-15,17,19H,3-9H2,1-2H3
InChIKeyGUAFULOTTZWSMP-UHFFFAOYSA-N
XLogP3.96
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 81100139
2-methyl-N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79144645
N-[[5-(2-adamantyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 81099798
N-[[5-(cyclopentylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79145769
N-[[5-(cyclohexylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79145110
N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]-1,3-oxazol-5-yl]aniline
CID 79146052
2-methyl-N-[[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79144831
N-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]propan-1-amine
CID 79145639
N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79144744
N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145172
N-[[5-(oxolan-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145817
N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79148260

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine (CID 81100600) is N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ncoc1C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is GUAFULOTTZWSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-11(2)8-19-9-16-18(21-10-20-16)17-14-4-12-3-13(6-14)7-15(17)5-12/h10-15,17,19H,3-9H2,1-2H3.
What are the key properties of N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 288.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81100600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).