ethyl 2-fluoro-2-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]acetate

C14H22FN3O3 — CID 139558269

IUPACethyl 2-fluoro-2-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]acetate
SMILESCCOC(=O)C(F)n1c(CNC)cnc1C1CCOCC1
InChIInChI=1S/C14H22FN3O3/c1-3-21-14(19)12(15)18-11(8-16-2)9-17-13(18)10-4-6-20-7-5-10/h9-10,12,16H,3-8H2,1-2H3
InChIKeyMNHMIOWNDOGFGT-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.53
Rot. Bonds6

About ethyl 2-fluoro-2-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]acetate

ethyl 2-fluoro-2-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]acetate (PubChem CID 139558269) has the molecular formula C14H22FN3O3 and a molecular weight of 299.35 g/mol. Its IUPAC name is ethyl 2-fluoro-2-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]acetate
PubChem CID139558269
Molecular FormulaC14H22FN3O3
Molecular Weight299.35 g/mol
Exact Mass299.16
IUPAC Nameethyl 2-fluoro-2-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]acetate
SMILESCCOC(=O)C(F)n1c(CNC)cnc1C1CCOCC1
InChIInChI=1S/C14H22FN3O3/c1-3-21-14(19)12(15)18-11(8-16-2)9-17-13(18)10-4-6-20-7-5-10/h9-10,12,16H,3-8H2,1-2H3
InChIKeyMNHMIOWNDOGFGT-UHFFFAOYSA-N
XLogP1.53
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]acetate?
The IUPAC name of ethyl 2-fluoro-2-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]acetate (CID 139558269) is ethyl 2-fluoro-2-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-fluoro-2-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]acetate?
The canonical SMILES for ethyl 2-fluoro-2-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]acetate is CCOC(=O)C(F)n1c(CNC)cnc1C1CCOCC1.
What is the InChIKey of ethyl 2-fluoro-2-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]acetate?
The InChIKey is MNHMIOWNDOGFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O3/c1-3-21-14(19)12(15)18-11(8-16-2)9-17-13(18)10-4-6-20-7-5-10/h9-10,12,16H,3-8H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]acetate?
ethyl 2-fluoro-2-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]acetate has a molecular weight of 299.35 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-[5-(methylaminomethyl)-2-(oxan-4-yl)imidazol-1-yl]acetate is sourced from PubChem (CID 139558269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).