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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Related Compounds

3-[(5-bromo-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazole
CID 90810542
(5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole
CID 123218116
N,N-dimethyl-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
CID 91554671
(5S)-3-[3-(2H-tetrazol-5-yl)phenoxy]-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazole
CID 123179776
N-(2-amino-2-oxoethyl)-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
CID 123157281
(5S)-3-[(6-cyclopentylsulfonyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazole
CID 123975733
(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]azetidine;hydrochloride
CID 171197328
2-[3-fluoro-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-5-methyl-1,3,4-oxadiazole
CID 91100556
(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 171196390
(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
CID 171195984
(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 171195028
(5R)-3-bromo-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazole
CID 123983613

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).