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

C13H22N2O2 — CID 65182515

IUPAC2-methyl-N-[2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCC(C)CNCCc1ncc(C2CCOC2)o1
InChIInChI=1S/C13H22N2O2/c1-10(2)7-14-5-3-13-15-8-12(17-13)11-4-6-16-9-11/h8,10-11,14H,3-7,9H2,1-2H3
InChIKeyMFBDVDMOQSXYHJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.97
Rot. Bonds6

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

2-methyl-N-[2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 65182515) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methyl-N-[2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID65182515
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-methyl-N-[2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCC(C)CNCCc1ncc(C2CCOC2)o1
InChIInChI=1S/C13H22N2O2/c1-10(2)7-14-5-3-13-15-8-12(17-13)11-4-6-16-9-11/h8,10-11,14H,3-7,9H2,1-2H3
InChIKeyMFBDVDMOQSXYHJ-UHFFFAOYSA-N
XLogP1.97
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.97
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-[2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 65182515) is 2-methyl-N-[2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is CC(C)CNCCc1ncc(C2CCOC2)o1.
What is the InChIKey of 2-methyl-N-[2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is MFBDVDMOQSXYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(2)7-14-5-3-13-15-8-12(17-13)11-4-6-16-9-11/h8,10-11,14H,3-7,9H2,1-2H3.
What are the key properties of 2-methyl-N-[2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
2-methyl-N-[2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65182515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).