N-propan-2-yl-3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine

C16H28N2O2 — CID 65187324

IUPACN-propan-2-yl-3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCC(C)NCCCc1ncc(C2C(C)OC(C)C2C)o1
InChIInChI=1S/C16H28N2O2/c1-10(2)17-8-6-7-15-18-9-14(20-15)16-11(3)12(4)19-13(16)5/h9-13,16-17H,6-8H2,1-5H3
InChIKeyGPMBMUWVYCVDKM-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.13
Rot. Bonds6

About N-propan-2-yl-3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine

N-propan-2-yl-3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65187324) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-propan-2-yl-3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65187324
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-propan-2-yl-3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCC(C)NCCCc1ncc(C2C(C)OC(C)C2C)o1
InChIInChI=1S/C16H28N2O2/c1-10(2)17-8-6-7-15-18-9-14(20-15)16-11(3)12(4)19-13(16)5/h9-13,16-17H,6-8H2,1-5H3
InChIKeyGPMBMUWVYCVDKM-UHFFFAOYSA-N
XLogP3.13
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-propan-2-yl-3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine with MolForge

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Related Compounds

2-methoxy-N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65181971
3-[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187329
3-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187177
3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 112605740
N-propan-2-yl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186937
3-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187082
N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186839
2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]propyl]propan-1-amine
CID 81327217
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187513
3-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187422
3-[5-(5-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 82891430
3-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 81324586

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of N-propan-2-yl-3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine (CID 65187324) is N-propan-2-yl-3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for N-propan-2-yl-3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine is CC(C)NCCCc1ncc(C2C(C)OC(C)C2C)o1.
What is the InChIKey of N-propan-2-yl-3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is GPMBMUWVYCVDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-10(2)17-8-6-7-15-18-9-14(20-15)16-11(3)12(4)19-13(16)5/h9-13,16-17H,6-8H2,1-5H3.
What are the key properties of N-propan-2-yl-3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine?
N-propan-2-yl-3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65187324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).