5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole

C14H9ClF3N3O3 — CID 90883302

IUPAC5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole
SMILESFC(F)(F)Oc1ccc(C2C=C(Oc3cncnc3)NO2)cc1Cl
InChIInChI=1S/C14H9ClF3N3O3/c15-10-3-8(1-2-11(10)23-14(16,17)18)12-4-13(21-24-12)22-9-5-19-7-20-6-9/h1-7,12,21H
InChIKeyXBZRIRALIJZJEX-UHFFFAOYSA-N
MW359.69 g/mol
LogP3.52
Rot. Bonds4

About 5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole

5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole (PubChem CID 90883302) has the molecular formula C14H9ClF3N3O3 and a molecular weight of 359.69 g/mol. Its IUPAC name is 5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole
PubChem CID90883302
Molecular FormulaC14H9ClF3N3O3
Molecular Weight359.69 g/mol
Exact Mass359.03
IUPAC Name5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole
SMILESFC(F)(F)Oc1ccc(C2C=C(Oc3cncnc3)NO2)cc1Cl
InChIInChI=1S/C14H9ClF3N3O3/c15-10-3-8(1-2-11(10)23-14(16,17)18)12-4-13(21-24-12)22-9-5-19-7-20-6-9/h1-7,12,21H
InChIKeyXBZRIRALIJZJEX-UHFFFAOYSA-N
XLogP3.52
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.69
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole (CID 90883302) is 5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole is FC(F)(F)Oc1ccc(C2C=C(Oc3cncnc3)NO2)cc1Cl.
What is the InChIKey of 5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole?
The InChIKey is XBZRIRALIJZJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O3/c15-10-3-8(1-2-11(10)23-14(16,17)18)12-4-13(21-24-12)22-9-5-19-7-20-6-9/h1-7,12,21H.
What are the key properties of 5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole?
5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole has a molecular weight of 359.69 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 90883302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).