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

C14H24N2O2 — CID 79145172

IUPACN-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncoc1C1C(C)OC(C)C1C
InChIInChI=1S/C14H24N2O2/c1-8(2)15-6-12-14(17-7-16-12)13-9(3)10(4)18-11(13)5/h7-11,13,15H,6H2,1-5H3
InChIKeyAIYNLXQQMWXFEL-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.70
Rot. Bonds4

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

N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine (PubChem CID 79145172) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
PubChem CID79145172
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncoc1C1C(C)OC(C)C1C
InChIInChI=1S/C14H24N2O2/c1-8(2)15-6-12-14(17-7-16-12)13-9(3)10(4)18-11(13)5/h7-11,13,15H,6H2,1-5H3
InChIKeyAIYNLXQQMWXFEL-UHFFFAOYSA-N
XLogP2.70
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine (CID 79145172) is N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine is CC(C)NCc1ncoc1C1C(C)OC(C)C1C.
What is the InChIKey of N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The InChIKey is AIYNLXQQMWXFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-8(2)15-6-12-14(17-7-16-12)13-9(3)10(4)18-11(13)5/h7-11,13,15H,6H2,1-5H3.
What are the key properties of N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine has a molecular weight of 252.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 79145172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).