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

C16H28N2O — CID 65181968

IUPACN-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncc(C2CCCCCCC2)o1
InChIInChI=1S/C16H28N2O/c1-13(2)10-17-12-16-18-11-15(19-16)14-8-6-4-3-5-7-9-14/h11,13-14,17H,3-10,12H2,1-2H3
InChIKeyQAXPBCMXFLRSOM-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.25
Rot. Bonds5

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

N-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 65181968) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID65181968
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncc(C2CCCCCCC2)o1
InChIInChI=1S/C16H28N2O/c1-13(2)10-17-12-16-18-11-15(19-16)14-8-6-4-3-5-7-9-14/h11,13-14,17H,3-10,12H2,1-2H3
InChIKeyQAXPBCMXFLRSOM-UHFFFAOYSA-N
XLogP4.25
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.25
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-(2,2-dimethylcyclopropyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107003479
N-[[5-(2-adamantyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 81099798
N-[[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 83151593
2-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 65184178
N-[[5-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183813
2-methyl-N-[2-[5-(2-methylcyclopentyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 107185156
2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65181357
N-[2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
CID 65182513
N-[[5-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183995
3-(5-cycloheptyl-1,3-oxazol-2-yl)propan-1-ol
CID 115034079
2-methyl-N-[[5-(2-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 114877256

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine (CID 65181968) is N-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1ncc(C2CCCCCCC2)o1.
What is the InChIKey of N-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is QAXPBCMXFLRSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13(2)10-17-12-16-18-11-15(19-16)14-8-6-4-3-5-7-9-14/h11,13-14,17H,3-10,12H2,1-2H3.
What are the key properties of N-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine?
N-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65181968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).