2-phenyl-4-(trifluoromethyl)-5-(3,4,5-trimethoxyphenoxy)-1,3-oxazole

C19H16F3NO5 — CID 57113298

IUPAC2-phenyl-4-(trifluoromethyl)-5-(3,4,5-trimethoxyphenoxy)-1,3-oxazole
SMILESCOc1cc(Oc2oc(-c3ccccc3)nc2C(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C19H16F3NO5/c1-24-13-9-12(10-14(25-2)15(13)26-3)27-18-16(19(20,21)22)23-17(28-18)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyVCDCNZGDZIVMJR-UHFFFAOYSA-N
MW395.33 g/mol
LogP5.18
Rot. Bonds6

About 2-phenyl-4-(trifluoromethyl)-5-(3,4,5-trimethoxyphenoxy)-1,3-oxazole

2-phenyl-4-(trifluoromethyl)-5-(3,4,5-trimethoxyphenoxy)-1,3-oxazole (PubChem CID 57113298) has the molecular formula C19H16F3NO5 and a molecular weight of 395.33 g/mol. Its IUPAC name is 2-phenyl-4-(trifluoromethyl)-5-(3,4,5-trimethoxyphenoxy)-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-4-(trifluoromethyl)-5-(3,4,5-trimethoxyphenoxy)-1,3-oxazole
PubChem CID57113298
Molecular FormulaC19H16F3NO5
Molecular Weight395.33 g/mol
Exact Mass395.10
IUPAC Name2-phenyl-4-(trifluoromethyl)-5-(3,4,5-trimethoxyphenoxy)-1,3-oxazole
SMILESCOc1cc(Oc2oc(-c3ccccc3)nc2C(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C19H16F3NO5/c1-24-13-9-12(10-14(25-2)15(13)26-3)27-18-16(19(20,21)22)23-17(28-18)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyVCDCNZGDZIVMJR-UHFFFAOYSA-N
XLogP5.18
TPSA62.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.33
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-4-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methoxy]-1,3-oxazole
CID 14443374
5-methoxy-4-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 822891
5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 4544688
6,7-dimethoxy-2-phenyl-9-(trifluoromethyl)-[1,3]oxazolo[5,4-b]quinoline
CID 102359710
1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene
CID 21195641
3,4-dimethoxy-2-(trifluoromethyl)quinoline
CID 69305906
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 17396165
(5-methoxy-2-phenyl-1,3-benzoxazol-7-yl)methanol
CID 76851601
6,7,8-trimethoxy-2-[3-(trifluoromethyl)phenyl]-3,1-benzoxazin-4-one
CID 2799160
2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 2517988
2-[6-methoxy-5-[2-methoxy-6-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 59815296
2-(3,4,5-trimethoxyphenoxy)aniline
CID 11173411

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(trifluoromethyl)-5-(3,4,5-trimethoxyphenoxy)-1,3-oxazole?
The IUPAC name of 2-phenyl-4-(trifluoromethyl)-5-(3,4,5-trimethoxyphenoxy)-1,3-oxazole (CID 57113298) is 2-phenyl-4-(trifluoromethyl)-5-(3,4,5-trimethoxyphenoxy)-1,3-oxazole.
What is the SMILES notation for 2-phenyl-4-(trifluoromethyl)-5-(3,4,5-trimethoxyphenoxy)-1,3-oxazole?
The canonical SMILES for 2-phenyl-4-(trifluoromethyl)-5-(3,4,5-trimethoxyphenoxy)-1,3-oxazole is COc1cc(Oc2oc(-c3ccccc3)nc2C(F)(F)F)cc(OC)c1OC.
What is the InChIKey of 2-phenyl-4-(trifluoromethyl)-5-(3,4,5-trimethoxyphenoxy)-1,3-oxazole?
The InChIKey is VCDCNZGDZIVMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO5/c1-24-13-9-12(10-14(25-2)15(13)26-3)27-18-16(19(20,21)22)23-17(28-18)11-7-5-4-6-8-11/h4-10H,1-3H3.
What are the key properties of 2-phenyl-4-(trifluoromethyl)-5-(3,4,5-trimethoxyphenoxy)-1,3-oxazole?
2-phenyl-4-(trifluoromethyl)-5-(3,4,5-trimethoxyphenoxy)-1,3-oxazole has a molecular weight of 395.33 g/mol, XLogP of 5.18, 6 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-trimethoxyphenoxy)-1,3-oxazole is sourced from PubChem (CID 57113298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).