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

C13H22N2O2 — CID 65183031

IUPACN-[1-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(C2CCCCO2)o1
InChIInChI=1S/C13H22N2O2/c1-3-7-14-10(2)13-15-9-12(17-13)11-6-4-5-8-16-11/h9-11,14H,3-8H2,1-2H3
InChIKeyFMKBXEBMCNZEEO-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.98
Rot. Bonds5

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

N-[1-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 65183031) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[1-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID65183031
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[1-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(C2CCCCO2)o1
InChIInChI=1S/C13H22N2O2/c1-3-7-14-10(2)13-15-9-12(17-13)11-6-4-5-8-16-11/h9-11,14H,3-8H2,1-2H3
InChIKeyFMKBXEBMCNZEEO-UHFFFAOYSA-N
XLogP2.98
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 65183031) is N-[1-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1ncc(C2CCCCO2)o1.
What is the InChIKey of N-[1-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is FMKBXEBMCNZEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-7-14-10(2)13-15-9-12(17-13)11-6-4-5-8-16-11/h9-11,14H,3-8H2,1-2H3.
What are the key properties of N-[1-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65183031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).