5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole

C19H19FN4O — CID 124989778

IUPAC5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole
SMILESCc1cc(N2CC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)ncn1
InChIInChI=1S/C19H19FN4O/c1-13-7-18(23-12-22-13)24-6-5-15(11-24)19-21-10-17(25-19)9-14-3-2-4-16(20)8-14/h2-4,7-8,10,12,15H,5-6,9,11H2,1H3/t15-/m1/s1
InChIKeyOWVCGOOXRZWOTB-OAHLLOKOSA-N
MW338.39 g/mol
LogP3.50
Rot. Bonds4

About 5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole

5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole (PubChem CID 124989778) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole
PubChem CID124989778
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole
SMILESCc1cc(N2CC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)ncn1
InChIInChI=1S/C19H19FN4O/c1-13-7-18(23-12-22-13)24-6-5-15(11-24)19-21-10-17(25-19)9-14-3-2-4-16(20)8-14/h2-4,7-8,10,12,15H,5-6,9,11H2,1H3/t15-/m1/s1
InChIKeyOWVCGOOXRZWOTB-OAHLLOKOSA-N
XLogP3.50
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole (CID 124989778) is 5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole is Cc1cc(N2CC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)ncn1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole?
The InChIKey is OWVCGOOXRZWOTB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-13-7-18(23-12-22-13)24-6-5-15(11-24)19-21-10-17(25-19)9-14-3-2-4-16(20)8-14/h2-4,7-8,10,12,15H,5-6,9,11H2,1H3/t15-/m1/s1.
What are the key properties of 5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole?
5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole has a molecular weight of 338.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole is sourced from PubChem (CID 124989778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).