2-phenyl-4-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methoxy]-1,3-oxazole

C20H18F3NO5 — CID 14443374

IUPAC2-phenyl-4-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methoxy]-1,3-oxazole
SMILESCOc1cc(COc2oc(-c3ccccc3)nc2C(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C20H18F3NO5/c1-25-14-9-12(10-15(26-2)16(14)27-3)11-28-19-17(20(21,22)23)24-18(29-19)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
InChIKeyMIYFQQNATCMSDT-UHFFFAOYSA-N
MW409.36 g/mol
LogP4.97
Rot. Bonds7

About 2-phenyl-4-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methoxy]-1,3-oxazole

2-phenyl-4-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methoxy]-1,3-oxazole (PubChem CID 14443374) has the molecular formula C20H18F3NO5 and a molecular weight of 409.36 g/mol. Its IUPAC name is 2-phenyl-4-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methoxy]-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-4-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methoxy]-1,3-oxazole
PubChem CID14443374
Molecular FormulaC20H18F3NO5
Molecular Weight409.36 g/mol
Exact Mass409.11
IUPAC Name2-phenyl-4-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methoxy]-1,3-oxazole
SMILESCOc1cc(COc2oc(-c3ccccc3)nc2C(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C20H18F3NO5/c1-25-14-9-12(10-15(26-2)16(14)27-3)11-28-19-17(20(21,22)23)24-18(29-19)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
InChIKeyMIYFQQNATCMSDT-UHFFFAOYSA-N
XLogP4.97
TPSA62.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-4-(trifluoromethyl)-5-(3,4,5-trimethoxyphenoxy)-1,3-oxazole
CID 57113298
5-methoxy-4-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 822891
5-[(4-nitrophenyl)methoxy]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole
CID 14443380
triphenyl-[(3,4,5-trimethoxyphenyl)methoxy]silane
CID 71329016
5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 4544688
11-[(3,4,5-trimethoxyphenyl)methoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]acridine
CID 11495744
3,4-diphenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]pyrrole-2,5-dione
CID 141397575
6,7-dimethoxy-2-phenyl-9-(trifluoromethyl)-[1,3]oxazolo[5,4-b]quinoline
CID 102359710
5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19627067
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 17396165
2-phenyl-5-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzofuran
CID 102296681
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 24599401

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methoxy]-1,3-oxazole?
The IUPAC name of 2-phenyl-4-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methoxy]-1,3-oxazole (CID 14443374) is 2-phenyl-4-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methoxy]-1,3-oxazole.
What is the SMILES notation for 2-phenyl-4-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methoxy]-1,3-oxazole?
The canonical SMILES for 2-phenyl-4-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methoxy]-1,3-oxazole is COc1cc(COc2oc(-c3ccccc3)nc2C(F)(F)F)cc(OC)c1OC.
What is the InChIKey of 2-phenyl-4-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methoxy]-1,3-oxazole?
The InChIKey is MIYFQQNATCMSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO5/c1-25-14-9-12(10-15(26-2)16(14)27-3)11-28-19-17(20(21,22)23)24-18(29-19)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3.
What are the key properties of 2-phenyl-4-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methoxy]-1,3-oxazole?
2-phenyl-4-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methoxy]-1,3-oxazole has a molecular weight of 409.36 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methoxy]-1,3-oxazole is sourced from PubChem (CID 14443374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).