3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide

C19H21FN4O3 — CID 125447195

IUPAC3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide
SMILESO=C(N[C@H]1CCOC1)c1cccc(-c2ncc(F)c(N3CCOCC3)n2)c1
InChIInChI=1S/C19H21FN4O3/c20-16-11-21-17(23-18(16)24-5-8-26-9-6-24)13-2-1-3-14(10-13)19(25)22-15-4-7-27-12-15/h1-3,10-11,15H,4-9,12H2,(H,22,25)/t15-/m0/s1
InChIKeyKTZBMKYVNWWFSB-HNNXBMFYSA-N
MW372.40 g/mol
LogP1.64
Rot. Bonds4

About 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide

3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide (PubChem CID 125447195) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide
PubChem CID125447195
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide
SMILESO=C(N[C@H]1CCOC1)c1cccc(-c2ncc(F)c(N3CCOCC3)n2)c1
InChIInChI=1S/C19H21FN4O3/c20-16-11-21-17(23-18(16)24-5-8-26-9-6-24)13-2-1-3-14(10-13)19(25)22-15-4-7-27-12-15/h1-3,10-11,15H,4-9,12H2,(H,22,25)/t15-/m0/s1
InChIKeyKTZBMKYVNWWFSB-HNNXBMFYSA-N
XLogP1.64
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide
CID 125174867
3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide
CID 125169993
3-(oxan-4-ylcarbamoyl)benzoic acid
CID 43610555
6-fluoro-N-(oxan-4-yl)quinoline-3-carboxamide
CID 166186547
3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]benzamide
CID 125435137
3-[5-methyl-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidin-2-yl]phenol
CID 90426358
3-fluoro-N-(oxolan-3-yl)-4-piperazin-1-ylbenzamide
CID 166082493
3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-(oxan-4-yl)benzamide
CID 57463677
4-[2-fluoro-4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid
CID 175819039
6-(3-fluorophenyl)-N-[1-[5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
CID 24991043
N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80712621
2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 53214965

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide?
The IUPAC name of 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide (CID 125447195) is 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide.
What is the SMILES notation for 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide?
The canonical SMILES for 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide is O=C(N[C@H]1CCOC1)c1cccc(-c2ncc(F)c(N3CCOCC3)n2)c1.
What is the InChIKey of 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide?
The InChIKey is KTZBMKYVNWWFSB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c20-16-11-21-17(23-18(16)24-5-8-26-9-6-24)13-2-1-3-14(10-13)19(25)22-15-4-7-27-12-15/h1-3,10-11,15H,4-9,12H2,(H,22,25)/t15-/m0/s1.
What are the key properties of 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide?
3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide has a molecular weight of 372.40 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide is sourced from PubChem (CID 125447195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).