3-[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine

C14H26N2O — CID 65187329

IUPAC3-[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1ncc(CC(C)(C)C)o1
InChIInChI=1S/C14H26N2O/c1-11(2)15-8-6-7-13-16-10-12(17-13)9-14(3,4)5/h10-11,15H,6-9H2,1-5H3
InChIKeyOEKHJBAXCLRNOW-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.19
Rot. Bonds6

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

3-[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 65187329) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
PubChem CID65187329
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1ncc(CC(C)(C)C)o1
InChIInChI=1S/C14H26N2O/c1-11(2)15-8-6-7-13-16-10-12(17-13)9-14(3,4)5/h10-11,15H,6-9H2,1-5H3
InChIKeyOEKHJBAXCLRNOW-UHFFFAOYSA-N
XLogP3.19
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 112605740
N-[2-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 103022698
3-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187177
N-[2-[5-(2-methoxyethyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65182920
N-[3-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 103022713
N-propan-2-yl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186937
N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186839
N-propan-2-yl-3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187324
3-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187082
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187513
N-[3-[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
CID 65184883
3-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187422

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine (CID 65187329) is 3-[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine is CC(C)NCCCc1ncc(CC(C)(C)C)o1.
What is the InChIKey of 3-[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is OEKHJBAXCLRNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)15-8-6-7-13-16-10-12(17-13)9-14(3,4)5/h10-11,15H,6-9H2,1-5H3.
What are the key properties of 3-[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
3-[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 238.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 65187329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).