(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

C17H22FN5O3 — CID 135087867

IUPAC(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(C[C@@H]2CN(c3ncc(F)c(N4CCOCC4)n3)C[C@@H]2O)on1
InChIInChI=1S/C17H22FN5O3/c1-11-6-13(26-21-11)7-12-9-23(10-15(12)24)17-19-8-14(18)16(20-17)22-2-4-25-5-3-22/h6,8,12,15,24H,2-5,7,9-10H2,1H3/t12-,15+/m1/s1
InChIKeyMUMLSJGUWTUZHQ-DOMZBBRYSA-N
MW363.39 g/mol
LogP0.79
Rot. Bonds4

About (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol (PubChem CID 135087867) has the molecular formula C17H22FN5O3 and a molecular weight of 363.39 g/mol. Its IUPAC name is (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
PubChem CID135087867
Molecular FormulaC17H22FN5O3
Molecular Weight363.39 g/mol
Exact Mass363.17
IUPAC Name(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(C[C@@H]2CN(c3ncc(F)c(N4CCOCC4)n3)C[C@@H]2O)on1
InChIInChI=1S/C17H22FN5O3/c1-11-6-13(26-21-11)7-12-9-23(10-15(12)24)17-19-8-14(18)16(20-17)22-2-4-25-5-3-22/h6,8,12,15,24H,2-5,7,9-10H2,1H3/t12-,15+/m1/s1
InChIKeyMUMLSJGUWTUZHQ-DOMZBBRYSA-N
XLogP0.79
TPSA87.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol (CID 135087867) is (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol is Cc1cc(C[C@@H]2CN(c3ncc(F)c(N4CCOCC4)n3)C[C@@H]2O)on1.
What is the InChIKey of (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol?
The InChIKey is MUMLSJGUWTUZHQ-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H22FN5O3/c1-11-6-13(26-21-11)7-12-9-23(10-15(12)24)17-19-8-14(18)16(20-17)22-2-4-25-5-3-22/h6,8,12,15,24H,2-5,7,9-10H2,1H3/t12-,15+/m1/s1.
What are the key properties of (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol?
(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol has a molecular weight of 363.39 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 135087867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).