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

C18H28N2O — CID 81099798

IUPACN-[[5-(2-adamantyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncc(C2C3CC4CC(C3)CC2C4)o1
InChIInChI=1S/C18H28N2O/c1-11(2)8-19-10-17-20-9-16(21-17)18-14-4-12-3-13(6-14)7-15(18)5-12/h9,11-15,18-19H,3-8,10H2,1-2H3
InChIKeyRFDHMPWRPBYUIF-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.96
Rot. Bonds5

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

N-[[5-(2-adamantyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 81099798) 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-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-adamantyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID81099798
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-[[5-(2-adamantyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncc(C2C3CC4CC(C3)CC2C4)o1
InChIInChI=1S/C18H28N2O/c1-11(2)8-19-10-17-20-9-16(21-17)18-14-4-12-3-13(6-14)7-15(18)5-12/h9,11-15,18-19H,3-8,10H2,1-2H3
InChIKeyRFDHMPWRPBYUIF-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-cyclobutyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine
CID 65181714
N-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine
CID 65181968
N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107003479
N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 81100600
2-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 65184178
N-[[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 83151593
2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65181357
2-methyl-N-[[5-(2-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 114877256
2-methyl-N-[2-[5-(2-methylcyclopentyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 107185156
N-[[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 82818536
2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65181413
N-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181259

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-adamantyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(2-adamantyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine (CID 81099798) is N-[[5-(2-adamantyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(2-adamantyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(2-adamantyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ncc(C2C3CC4CC(C3)CC2C4)o1.
What is the InChIKey of N-[[5-(2-adamantyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is RFDHMPWRPBYUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-11(2)8-19-10-17-20-9-16(21-17)18-14-4-12-3-13(6-14)7-15(18)5-12/h9,11-15,18-19H,3-8,10H2,1-2H3.
What are the key properties of N-[[5-(2-adamantyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(2-adamantyl)-1,3-oxazol-2-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-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81099798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).