3-[4-[(2,6-difluorophenyl)methoxy]phenyl]-5-(imidazol-1-ylmethyl)-1,2-oxazole

C20H15F2N3O2 — CID 46893649

IUPAC3-[4-[(2,6-difluorophenyl)methoxy]phenyl]-5-(imidazol-1-ylmethyl)-1,2-oxazole
SMILESFc1cccc(F)c1COc1ccc(-c2cc(Cn3ccnc3)on2)cc1
InChIInChI=1S/C20H15F2N3O2/c21-18-2-1-3-19(22)17(18)12-26-15-6-4-14(5-7-15)20-10-16(27-24-20)11-25-9-8-23-13-25/h1-10,13H,11-12H2
InChIKeyZTPHJRKYVHJAPB-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.44
Rot. Bonds6

About 3-[4-[(2,6-difluorophenyl)methoxy]phenyl]-5-(imidazol-1-ylmethyl)-1,2-oxazole

3-[4-[(2,6-difluorophenyl)methoxy]phenyl]-5-(imidazol-1-ylmethyl)-1,2-oxazole (PubChem CID 46893649) has the molecular formula C20H15F2N3O2 and a molecular weight of 367.36 g/mol. Its IUPAC name is 3-[4-[(2,6-difluorophenyl)methoxy]phenyl]-5-(imidazol-1-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[4-[(2,6-difluorophenyl)methoxy]phenyl]-5-(imidazol-1-ylmethyl)-1,2-oxazole
PubChem CID46893649
Molecular FormulaC20H15F2N3O2
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name3-[4-[(2,6-difluorophenyl)methoxy]phenyl]-5-(imidazol-1-ylmethyl)-1,2-oxazole
SMILESFc1cccc(F)c1COc1ccc(-c2cc(Cn3ccnc3)on2)cc1
InChIInChI=1S/C20H15F2N3O2/c21-18-2-1-3-19(22)17(18)12-26-15-6-4-14(5-7-15)20-10-16(27-24-20)11-25-9-8-23-13-25/h1-10,13H,11-12H2
InChIKeyZTPHJRKYVHJAPB-UHFFFAOYSA-N
XLogP4.44
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,6-difluorophenyl)methoxy]phenyl]-5-(imidazol-1-ylmethyl)-1,2-oxazole?
The IUPAC name of 3-[4-[(2,6-difluorophenyl)methoxy]phenyl]-5-(imidazol-1-ylmethyl)-1,2-oxazole (CID 46893649) is 3-[4-[(2,6-difluorophenyl)methoxy]phenyl]-5-(imidazol-1-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-[4-[(2,6-difluorophenyl)methoxy]phenyl]-5-(imidazol-1-ylmethyl)-1,2-oxazole?
The canonical SMILES for 3-[4-[(2,6-difluorophenyl)methoxy]phenyl]-5-(imidazol-1-ylmethyl)-1,2-oxazole is Fc1cccc(F)c1COc1ccc(-c2cc(Cn3ccnc3)on2)cc1.
What is the InChIKey of 3-[4-[(2,6-difluorophenyl)methoxy]phenyl]-5-(imidazol-1-ylmethyl)-1,2-oxazole?
The InChIKey is ZTPHJRKYVHJAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2/c21-18-2-1-3-19(22)17(18)12-26-15-6-4-14(5-7-15)20-10-16(27-24-20)11-25-9-8-23-13-25/h1-10,13H,11-12H2.
What are the key properties of 3-[4-[(2,6-difluorophenyl)methoxy]phenyl]-5-(imidazol-1-ylmethyl)-1,2-oxazole?
3-[4-[(2,6-difluorophenyl)methoxy]phenyl]-5-(imidazol-1-ylmethyl)-1,2-oxazole has a molecular weight of 367.36 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,6-difluorophenyl)methoxy]phenyl]-5-(imidazol-1-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 46893649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).