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

C12H20F2N2O2 — CID 103213190

IUPACN-[1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(CCOCC(F)F)o1
InChIInChI=1S/C12H20F2N2O2/c1-3-5-15-9(2)12-16-7-10(18-12)4-6-17-8-11(13)14/h7,9,11,15H,3-6,8H2,1-2H3
InChIKeyUNRVKOARBFARJX-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.56
Rot. Bonds9

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

N-[1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 103213190) has the molecular formula C12H20F2N2O2 and a molecular weight of 262.30 g/mol. Its IUPAC name is N-[1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID103213190
Molecular FormulaC12H20F2N2O2
Molecular Weight262.30 g/mol
Exact Mass262.15
IUPAC NameN-[1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(CCOCC(F)F)o1
InChIInChI=1S/C12H20F2N2O2/c1-3-5-15-9(2)12-16-7-10(18-12)4-6-17-8-11(13)14/h7,9,11,15H,3-6,8H2,1-2H3
InChIKeyUNRVKOARBFARJX-UHFFFAOYSA-N
XLogP2.56
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 103213190) is N-[1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1ncc(CCOCC(F)F)o1.
What is the InChIKey of N-[1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is UNRVKOARBFARJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O2/c1-3-5-15-9(2)12-16-7-10(18-12)4-6-17-8-11(13)14/h7,9,11,15H,3-6,8H2,1-2H3.
What are the key properties of N-[1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 262.30 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103213190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).