3-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]prop-2-en-1-ol

C32H28F3N3O5 — CID 69217742

IUPAC3-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]prop-2-en-1-ol
SMILESCOc1cc(COc2nn(-c3ccc(C(F)(F)F)cc3)cc2C=CCO)ccc1OCc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C32H28F3N3O5/c1-21-27(36-30(43-21)23-7-4-3-5-8-23)20-41-28-15-10-22(17-29(28)40-2)19-42-31-24(9-6-16-39)18-38(37-31)26-13-11-25(12-14-26)32(33,34)35/h3-15,17-18,39H,16,19-20H2,1-2H3
InChIKeyQXWGYVPBFDUWRK-UHFFFAOYSA-N
MW591.59 g/mol
LogP7.03
Rot. Bonds11

About 3-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]prop-2-en-1-ol

3-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]prop-2-en-1-ol (PubChem CID 69217742) has the molecular formula C32H28F3N3O5 and a molecular weight of 591.59 g/mol. Its IUPAC name is 3-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name3-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]prop-2-en-1-ol
PubChem CID69217742
Molecular FormulaC32H28F3N3O5
Molecular Weight591.59 g/mol
Exact Mass591.20
IUPAC Name3-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]prop-2-en-1-ol
SMILESCOc1cc(COc2nn(-c3ccc(C(F)(F)F)cc3)cc2C=CCO)ccc1OCc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C32H28F3N3O5/c1-21-27(36-30(43-21)23-7-4-3-5-8-23)20-41-28-15-10-22(17-29(28)40-2)19-42-31-24(9-6-16-39)18-38(37-31)26-13-11-25(12-14-26)32(33,34)35/h3-15,17-18,39H,16,19-20H2,1-2H3
InChIKeyQXWGYVPBFDUWRK-UHFFFAOYSA-N
XLogP7.03
TPSA91.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.59
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]prop-2-en-1-ol?
The IUPAC name of 3-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]prop-2-en-1-ol (CID 69217742) is 3-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]prop-2-en-1-ol.
What is the SMILES notation for 3-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]prop-2-en-1-ol?
The canonical SMILES for 3-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]prop-2-en-1-ol is COc1cc(COc2nn(-c3ccc(C(F)(F)F)cc3)cc2C=CCO)ccc1OCc1nc(-c2ccccc2)oc1C.
What is the InChIKey of 3-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]prop-2-en-1-ol?
The InChIKey is QXWGYVPBFDUWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F3N3O5/c1-21-27(36-30(43-21)23-7-4-3-5-8-23)20-41-28-15-10-22(17-29(28)40-2)19-42-31-24(9-6-16-39)18-38(37-31)26-13-11-25(12-14-26)32(33,34)35/h3-15,17-18,39H,16,19-20H2,1-2H3.
What are the key properties of 3-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]prop-2-en-1-ol?
3-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]prop-2-en-1-ol has a molecular weight of 591.59 g/mol, XLogP of 7.03, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]prop-2-en-1-ol is sourced from PubChem (CID 69217742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).