2-(3-fluorophenoxy)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide

C18H20FN3O3 — CID 124977627

IUPAC2-(3-fluorophenoxy)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
SMILESO=C(COc1cccc(F)c1)NCc1cnc([C@H]2CCCCO2)nc1
InChIInChI=1S/C18H20FN3O3/c19-14-4-3-5-15(8-14)25-12-17(23)20-9-13-10-21-18(22-11-13)16-6-1-2-7-24-16/h3-5,8,10-11,16H,1-2,6-7,9,12H2,(H,20,23)/t16-/m1/s1
InChIKeyLNTVGWWJPFTYBX-MRXNPFEDSA-N
MW345.37 g/mol
LogP2.55
Rot. Bonds6

About 2-(3-fluorophenoxy)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide

2-(3-fluorophenoxy)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide (PubChem CID 124977627) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
PubChem CID124977627
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-(3-fluorophenoxy)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
SMILESO=C(COc1cccc(F)c1)NCc1cnc([C@H]2CCCCO2)nc1
InChIInChI=1S/C18H20FN3O3/c19-14-4-3-5-15(8-14)25-12-17(23)20-9-13-10-21-18(22-11-13)16-6-1-2-7-24-16/h3-5,8,10-11,16H,1-2,6-7,9,12H2,(H,20,23)/t16-/m1/s1
InChIKeyLNTVGWWJPFTYBX-MRXNPFEDSA-N
XLogP2.55
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-fluorophenoxy)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-methoxyphenoxy)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124978968
2-(4-methoxyphenoxy)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
CID 110117732
2-(3-fluoro-4-methoxyphenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
CID 110117798
2-(3-fluoro-4-methoxyphenyl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124968940
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124955120
3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 124979072
N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide
CID 110117751
2-(3-fluorophenoxy)-N-[[2-[(3S)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide
CID 124983721
5-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide
CID 110117708
2-(3-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106121345
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124954332
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluorophenoxy)acetate
CID 2369928

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide (CID 124977627) is 2-(3-fluorophenoxy)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide is O=C(COc1cccc(F)c1)NCc1cnc([C@H]2CCCCO2)nc1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide?
The InChIKey is LNTVGWWJPFTYBX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-14-4-3-5-15(8-14)25-12-17(23)20-9-13-10-21-18(22-11-13)16-6-1-2-7-24-16/h3-5,8,10-11,16H,1-2,6-7,9,12H2,(H,20,23)/t16-/m1/s1.
What are the key properties of 2-(3-fluorophenoxy)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide?
2-(3-fluorophenoxy)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide has a molecular weight of 345.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide is sourced from PubChem (CID 124977627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).