3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole

C19H13F3N2O4 — CID 118161890

IUPAC3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
SMILESCc1cc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)on1
InChIInChI=1S/C19H13F3N2O4/c1-11-8-15(27-23-11)10-25-18-16-9-13(4-7-17(16)28-24-18)12-2-5-14(6-3-12)26-19(20,21)22/h2-9H,10H2,1H3
InChIKeyYBAYMYQHGURGSL-UHFFFAOYSA-N
MW390.32 g/mol
LogP5.27
Rot. Bonds5

About 3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole

3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole (PubChem CID 118161890) has the molecular formula C19H13F3N2O4 and a molecular weight of 390.32 g/mol. Its IUPAC name is 3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.

Molecular Properties

Compound Name3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
PubChem CID118161890
Molecular FormulaC19H13F3N2O4
Molecular Weight390.32 g/mol
Exact Mass390.08
IUPAC Name3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
SMILESCc1cc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)on1
InChIInChI=1S/C19H13F3N2O4/c1-11-8-15(27-23-11)10-25-18-16-9-13(4-7-17(16)28-24-18)12-2-5-14(6-3-12)26-19(20,21)22/h2-9H,10H2,1H3
InChIKeyYBAYMYQHGURGSL-UHFFFAOYSA-N
XLogP5.27
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.32
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?
The IUPAC name of 3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole (CID 118161890) is 3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.
What is the SMILES notation for 3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?
The canonical SMILES for 3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole is Cc1cc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)on1.
What is the InChIKey of 3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?
The InChIKey is YBAYMYQHGURGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O4/c1-11-8-15(27-23-11)10-25-18-16-9-13(4-7-17(16)28-24-18)12-2-5-14(6-3-12)26-19(20,21)22/h2-9H,10H2,1H3.
What are the key properties of 3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?
3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole has a molecular weight of 390.32 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole is sourced from PubChem (CID 118161890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).