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

C13H22N2O2 — CID 79762580

IUPACN-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1ncc(C2CCOC2C)o1
InChIInChI=1S/C13H22N2O2/c1-3-6-14-7-4-13-15-9-12(17-13)11-5-8-16-10(11)2/h9-11,14H,3-8H2,1-2H3
InChIKeyKEGFTDOPWLOQPL-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.11
Rot. Bonds6

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

N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 79762580) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID79762580
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1ncc(C2CCOC2C)o1
InChIInChI=1S/C13H22N2O2/c1-3-6-14-7-4-13-15-9-12(17-13)11-5-8-16-10(11)2/h9-11,14H,3-8H2,1-2H3
InChIKeyKEGFTDOPWLOQPL-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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 N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 79762580) is N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is CCCNCCc1ncc(C2CCOC2C)o1.
What is the InChIKey of N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is KEGFTDOPWLOQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-6-14-7-4-13-15-9-12(17-13)11-5-8-16-10(11)2/h9-11,14H,3-8H2,1-2H3.
What are the key properties of N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79762580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).