5-ethoxy-2-[4-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol

C19H16F3NO4 — CID 135601498

IUPAC5-ethoxy-2-[4-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
SMILESCCOc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(OC)cc2)c(O)c1
InChIInChI=1S/C19H16F3NO4/c1-3-26-13-8-9-14(15(24)10-13)17-16(18(23-27-17)19(20,21)22)11-4-6-12(25-2)7-5-11/h4-10,24H,3H2,1-2H3
InChIKeyWSCRIPBESXNXBH-UHFFFAOYSA-N
MW379.33 g/mol
LogP5.14
Rot. Bonds5

About 5-ethoxy-2-[4-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol

5-ethoxy-2-[4-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol (PubChem CID 135601498) has the molecular formula C19H16F3NO4 and a molecular weight of 379.33 g/mol. Its IUPAC name is 5-ethoxy-2-[4-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol.

Molecular Properties

Compound Name5-ethoxy-2-[4-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
PubChem CID135601498
Molecular FormulaC19H16F3NO4
Molecular Weight379.33 g/mol
Exact Mass379.10
IUPAC Name5-ethoxy-2-[4-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
SMILESCCOc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(OC)cc2)c(O)c1
InChIInChI=1S/C19H16F3NO4/c1-3-26-13-8-9-14(15(24)10-13)17-16(18(23-27-17)19(20,21)22)11-4-6-12(25-2)7-5-11/h4-10,24H,3H2,1-2H3
InChIKeyWSCRIPBESXNXBH-UHFFFAOYSA-N
XLogP5.14
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.33
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-{3-[3-Hydroxy-2-(methoxycarbonyl)phenoxy]propenyl}phenyl)-4-(hydroxymethyl)isoxazole-3-carboxylic acid
CID 449162
2-[(1S)-5-{3-[(3-methyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 9910188
2-[(1S)-5-{3-[(3,7-dimethyl-1,2-benzoxazol-6-yl)oxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24776381
2-[(1S)-5-{3-[(3-methyl-1,2-benzoxazol-6-yl)oxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24776382
5-(2-Fluoro-5-{(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]-1-propen-1-yl}phenyl)-1,2-oxazole-3-carboxylic acid
CID 447994
(3-{4-[(3-Phenyl-7-propyl-1,2-benzisoxazol-6-yl)oxy]butoxy}phenyl)acetic acid
CID 11753952
5-(5-Ethyl-2-hydroxy-4-methoxyphenyl)-4-(4-methoxyphenyl)isoxazole
CID 927908
2-[(1S)-5-(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy}propoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24776380
4-Ethyl-5-methoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
CID 1402231
4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol
CID 727517
4-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol
CID 928772
2-[4-Benzo[d]furan-2-yl-3-(trifluoromethyl)isoxazol-5-yl]-5-methoxyphenol
CID 1183154

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[4-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol?
The IUPAC name of 5-ethoxy-2-[4-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol (CID 135601498) is 5-ethoxy-2-[4-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol.
What is the SMILES notation for 5-ethoxy-2-[4-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol?
The canonical SMILES for 5-ethoxy-2-[4-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol is CCOc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(OC)cc2)c(O)c1.
What is the InChIKey of 5-ethoxy-2-[4-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol?
The InChIKey is WSCRIPBESXNXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO4/c1-3-26-13-8-9-14(15(24)10-13)17-16(18(23-27-17)19(20,21)22)11-4-6-12(25-2)7-5-11/h4-10,24H,3H2,1-2H3.
What are the key properties of 5-ethoxy-2-[4-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol?
5-ethoxy-2-[4-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol has a molecular weight of 379.33 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[4-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol is sourced from PubChem (CID 135601498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).