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

C14H24N2O2 — CID 65184839

IUPAC2-methyl-N-[3-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine
SMILESCC(C)(C)NCCCc1ncc(C2CCOC2)o1
InChIInChI=1S/C14H24N2O2/c1-14(2,3)16-7-4-5-13-15-9-12(18-13)11-6-8-17-10-11/h9,11,16H,4-8,10H2,1-3H3
InChIKeyCAUPTSAPXMZEJD-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.50
Rot. Bonds5

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

2-methyl-N-[3-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine (PubChem CID 65184839) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-methyl-N-[3-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine
PubChem CID65184839
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-methyl-N-[3-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine
SMILESCC(C)(C)NCCCc1ncc(C2CCOC2)o1
InChIInChI=1S/C14H24N2O2/c1-14(2,3)16-7-4-5-13-15-9-12(18-13)11-6-8-17-10-11/h9,11,16H,4-8,10H2,1-3H3
InChIKeyCAUPTSAPXMZEJD-UHFFFAOYSA-N
XLogP2.50
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine (CID 65184839) is 2-methyl-N-[3-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine is CC(C)(C)NCCCc1ncc(C2CCOC2)o1.
What is the InChIKey of 2-methyl-N-[3-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine?
The InChIKey is CAUPTSAPXMZEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2,3)16-7-4-5-13-15-9-12(18-13)11-6-8-17-10-11/h9,11,16H,4-8,10H2,1-3H3.
What are the key properties of 2-methyl-N-[3-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine?
2-methyl-N-[3-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine has a molecular weight of 252.36 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine is sourced from PubChem (CID 65184839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).