3,5-bis[4-(difluoromethoxy)phenyl]-1,2-oxazole

C17H11F4NO3 — CID 19586361

IUPAC3,5-bis[4-(difluoromethoxy)phenyl]-1,2-oxazole
SMILESFC(F)Oc1ccc(-c2cc(-c3ccc(OC(F)F)cc3)on2)cc1
InChIInChI=1S/C17H11F4NO3/c18-16(19)23-12-5-1-10(2-6-12)14-9-15(25-22-14)11-3-7-13(8-4-11)24-17(20)21/h1-9,16-17H
InChIKeyINMWRJSQKNFIDB-UHFFFAOYSA-N
MW353.27 g/mol
LogP5.21
Rot. Bonds6

About 3,5-bis[4-(difluoromethoxy)phenyl]-1,2-oxazole

3,5-bis[4-(difluoromethoxy)phenyl]-1,2-oxazole (PubChem CID 19586361) has the molecular formula C17H11F4NO3 and a molecular weight of 353.27 g/mol. Its IUPAC name is 3,5-bis[4-(difluoromethoxy)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-bis[4-(difluoromethoxy)phenyl]-1,2-oxazole
PubChem CID19586361
Molecular FormulaC17H11F4NO3
Molecular Weight353.27 g/mol
Exact Mass353.07
IUPAC Name3,5-bis[4-(difluoromethoxy)phenyl]-1,2-oxazole
SMILESFC(F)Oc1ccc(-c2cc(-c3ccc(OC(F)F)cc3)on2)cc1
InChIInChI=1S/C17H11F4NO3/c18-16(19)23-12-5-1-10(2-6-12)14-9-15(25-22-14)11-3-7-13(8-4-11)24-17(20)21/h1-9,16-17H
InChIKeyINMWRJSQKNFIDB-UHFFFAOYSA-N
XLogP5.21
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.27
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine
CID 28603394
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
4-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]phenol
CID 135604711
[4-(5-phenyl-1,2-oxazol-3-yl)phenyl] benzoate
CID 144750288
5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole
CID 53360252
3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 58157241
[4-[5-[3,5-bis[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,2-oxazol-5-yl]phenyl]-1,2-oxazol-3-yl]phenoxy]-tert-butyl-dimethylsilane
CID 53360376
5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 82472063
3-(4-methylphenyl)-5-(4-pentoxyphenyl)-1,2-oxazole
CID 122432767
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91309550
5-[3-(difluoromethoxy)phenyl]-1,2-oxazol-3-amine
CID 66199211
4-[4-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazol-5-amine
CID 43158134

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[4-(difluoromethoxy)phenyl]-1,2-oxazole?
The IUPAC name of 3,5-bis[4-(difluoromethoxy)phenyl]-1,2-oxazole (CID 19586361) is 3,5-bis[4-(difluoromethoxy)phenyl]-1,2-oxazole.
What is the SMILES notation for 3,5-bis[4-(difluoromethoxy)phenyl]-1,2-oxazole?
The canonical SMILES for 3,5-bis[4-(difluoromethoxy)phenyl]-1,2-oxazole is FC(F)Oc1ccc(-c2cc(-c3ccc(OC(F)F)cc3)on2)cc1.
What is the InChIKey of 3,5-bis[4-(difluoromethoxy)phenyl]-1,2-oxazole?
The InChIKey is INMWRJSQKNFIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4NO3/c18-16(19)23-12-5-1-10(2-6-12)14-9-15(25-22-14)11-3-7-13(8-4-11)24-17(20)21/h1-9,16-17H.
What are the key properties of 3,5-bis[4-(difluoromethoxy)phenyl]-1,2-oxazole?
3,5-bis[4-(difluoromethoxy)phenyl]-1,2-oxazole has a molecular weight of 353.27 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[4-(difluoromethoxy)phenyl]-1,2-oxazole is sourced from PubChem (CID 19586361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).