2-(3-fluorophenoxy)-N-[[2-[(3S)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide

C18H20FN3O3 — CID 124983721

IUPAC2-(3-fluorophenoxy)-N-[[2-[(3S)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide
SMILESO=C(COc1cccc(F)c1)NCc1ccnc([C@@H]2CCCOC2)n1
InChIInChI=1S/C18H20FN3O3/c19-14-4-1-5-16(9-14)25-12-17(23)21-10-15-6-7-20-18(22-15)13-3-2-8-24-11-13/h1,4-7,9,13H,2-3,8,10-12H2,(H,21,23)/t13-/m1/s1
InChIKeyNFWHQQYYJLEZMV-CYBMUJFWSA-N
MW345.37 g/mol
LogP2.20
Rot. Bonds6

About 2-(3-fluorophenoxy)-N-[[2-[(3S)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide

2-(3-fluorophenoxy)-N-[[2-[(3S)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide (PubChem CID 124983721) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[[2-[(3S)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[[2-[(3S)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide
PubChem CID124983721
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-(3-fluorophenoxy)-N-[[2-[(3S)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide
SMILESO=C(COc1cccc(F)c1)NCc1ccnc([C@@H]2CCCOC2)n1
InChIInChI=1S/C18H20FN3O3/c19-14-4-1-5-16(9-14)25-12-17(23)21-10-15-6-7-20-18(22-15)13-3-2-8-24-11-13/h1,4-7,9,13H,2-3,8,10-12H2,(H,21,23)/t13-/m1/s1
InChIKeyNFWHQQYYJLEZMV-CYBMUJFWSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenoxy)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide
CID 124987265
N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124939962
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]propanamide
CID 125016091
2-imidazol-1-yl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide
CID 110117959
2-(2-methyl-1,3-thiazol-4-yl)-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide
CID 110117974
2-(3-fluorophenoxy)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124977627
4-fluoro-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]benzenesulfonamide
CID 110118016
5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]thiophene-2-carboxamide
CID 125025075
5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]pyrazine-2-carboxamide
CID 124957512
2,4-dimethyl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 110117950
N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanesulfonamide
CID 110118014
[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-[(3S)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[[2-[(3S)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide (CID 124983721) is 2-(3-fluorophenoxy)-N-[[2-[(3S)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[[2-[(3S)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[[2-[(3S)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide is O=C(COc1cccc(F)c1)NCc1ccnc([C@@H]2CCCOC2)n1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[[2-[(3S)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide?
The InChIKey is NFWHQQYYJLEZMV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-14-4-1-5-16(9-14)25-12-17(23)21-10-15-6-7-20-18(22-15)13-3-2-8-24-11-13/h1,4-7,9,13H,2-3,8,10-12H2,(H,21,23)/t13-/m1/s1.
What are the key properties of 2-(3-fluorophenoxy)-N-[[2-[(3S)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide?
2-(3-fluorophenoxy)-N-[[2-[(3S)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide has a molecular weight of 345.37 g/mol, XLogP of 2.20, 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-[(3S)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide is sourced from PubChem (CID 124983721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).