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

C14H26N2O2 — CID 112605740

IUPAC3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1ncc(COC(C)(C)C)o1
InChIInChI=1S/C14H26N2O2/c1-11(2)15-8-6-7-13-16-9-12(18-13)10-17-14(3,4)5/h9,11,15H,6-8,10H2,1-5H3
InChIKeyMVOBDEONXJNJFO-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.92
Rot. Bonds7

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

3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 112605740) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
PubChem CID112605740
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1ncc(COC(C)(C)C)o1
InChIInChI=1S/C14H26N2O2/c1-11(2)15-8-6-7-13-16-9-12(18-13)10-17-14(3,4)5/h9,11,15H,6-8,10H2,1-5H3
InChIKeyMVOBDEONXJNJFO-UHFFFAOYSA-N
XLogP2.92
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine with MolForge

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Related Compounds

3-[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187329
3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]propan-1-amine
CID 112605694
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
3-[5-(methoxymethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65186999
N-propan-2-yl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186937
2-methyl-N-[3-[5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazol-2-yl]propyl]propan-1-amine
CID 103213243
N-[3-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 103022713
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
N-[2-[5-(methoxymethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65182549

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine (CID 112605740) is 3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine is CC(C)NCCCc1ncc(COC(C)(C)C)o1.
What is the InChIKey of 3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is MVOBDEONXJNJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)15-8-6-7-13-16-9-12(18-13)10-17-14(3,4)5/h9,11,15H,6-8,10H2,1-5H3.
What are the key properties of 3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 254.37 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 112605740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).