5-(3-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole

C13H8FN3O — CID 44546421

IUPAC5-(3-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole
SMILESFc1cccc(-c2cc(-c3cncnc3)no2)c1
InChIInChI=1S/C13H8FN3O/c14-11-3-1-2-9(4-11)13-5-12(17-18-13)10-6-15-8-16-7-10/h1-8H
InChIKeyLYKLAWOHNJLKFB-UHFFFAOYSA-N
MW241.23 g/mol
LogP2.94
Rot. Bonds2

About 5-(3-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole

5-(3-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole (PubChem CID 44546421) has the molecular formula C13H8FN3O and a molecular weight of 241.23 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole
PubChem CID44546421
Molecular FormulaC13H8FN3O
Molecular Weight241.23 g/mol
Exact Mass241.07
IUPAC Name5-(3-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole
SMILESFc1cccc(-c2cc(-c3cncnc3)no2)c1
InChIInChI=1S/C13H8FN3O/c14-11-3-1-2-9(4-11)13-5-12(17-18-13)10-6-15-8-16-7-10/h1-8H
InChIKeyLYKLAWOHNJLKFB-UHFFFAOYSA-N
XLogP2.94
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-Methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine
CID 2745721
N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide
CID 11625524
3-(4-Fluorophenyl)-4-pyridin-4-yl-1,2-oxazole
CID 9816180
Trans-4-{[4-(5-Methyl-3-Phenyl-1,2-Oxazol-4-Yl)pyrimidin-2-Yl]amino}cyclohexanol
CID 60138177
N1-[4-(3-phenylisoxazol-5-yl)pyrimidin-2-yl]acetamide
CID 2745719
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
CID 2745748
2-Pyrimidinamine, N-cyclohexyl-4-[3-phenyl-5-(1-piperidinylmethyl)-4-isoxazolyl]-
CID 10093433
2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 11640137
4-[3-(4-Fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine
CID 16115351
3-(4-Fluorophenyl)-5-(phenylacetylamino)-4-(4-pyrimidinyl)isoxazole
CID 57467724
5-Amino-3-(4-fluorophenyl)-4-(4-pyrimidinyl)isoxazole
CID 57467725
3-(4-Fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 58659496

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole?
The IUPAC name of 5-(3-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole (CID 44546421) is 5-(3-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole.
What is the SMILES notation for 5-(3-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole?
The canonical SMILES for 5-(3-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole is Fc1cccc(-c2cc(-c3cncnc3)no2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole?
The InChIKey is LYKLAWOHNJLKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O/c14-11-3-1-2-9(4-11)13-5-12(17-18-13)10-6-15-8-16-7-10/h1-8H.
What are the key properties of 5-(3-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole?
5-(3-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole has a molecular weight of 241.23 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole is sourced from PubChem (CID 44546421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).