[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone

C20H19FN4O2 — CID 125020355

IUPAC[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
SMILESCc1ncncc1C(=O)N1CC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1
InChIInChI=1S/C20H19FN4O2/c1-13-18(10-22-12-24-13)20(26)25-6-5-15(11-25)19-23-9-17(27-19)8-14-3-2-4-16(21)7-14/h2-4,7,9-10,12,15H,5-6,8,11H2,1H3/t15-/m1/s1
InChIKeyYCDALKGFSCIKEX-OAHLLOKOSA-N
MW366.40 g/mol
LogP3.13
Rot. Bonds4

About [(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone

[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone (PubChem CID 125020355) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is [(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
PubChem CID125020355
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
SMILESCc1ncncc1C(=O)N1CC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1
InChIInChI=1S/C20H19FN4O2/c1-13-18(10-22-12-24-13)20(26)25-6-5-15(11-25)19-23-9-17(27-19)8-14-3-2-4-16(21)7-14/h2-4,7,9-10,12,15H,5-6,8,11H2,1H3/t15-/m1/s1
InChIKeyYCDALKGFSCIKEX-OAHLLOKOSA-N
XLogP3.13
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone?
The IUPAC name of [(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone (CID 125020355) is [(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone?
The canonical SMILES for [(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone is Cc1ncncc1C(=O)N1CC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1.
What is the InChIKey of [(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone?
The InChIKey is YCDALKGFSCIKEX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-13-18(10-22-12-24-13)20(26)25-6-5-15(11-25)19-23-9-17(27-19)8-14-3-2-4-16(21)7-14/h2-4,7,9-10,12,15H,5-6,8,11H2,1H3/t15-/m1/s1.
What are the key properties of [(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone?
[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone has a molecular weight of 366.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone is sourced from PubChem (CID 125020355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).