[5-[2,4-difluoro-3-[(4-methoxyphenyl)methoxy]phenyl]-1,2-oxazol-3-yl]methanol

C18H15F2NO4 — CID 170431668

IUPAC[5-[2,4-difluoro-3-[(4-methoxyphenyl)methoxy]phenyl]-1,2-oxazol-3-yl]methanol
SMILESCOc1ccc(COc2c(F)ccc(-c3cc(CO)no3)c2F)cc1
InChIInChI=1S/C18H15F2NO4/c1-23-13-4-2-11(3-5-13)10-24-18-15(19)7-6-14(17(18)20)16-8-12(9-22)21-25-16/h2-8,22H,9-10H2,1H3
InChIKeyVFOAPPDNBRFGLF-UHFFFAOYSA-N
MW347.32 g/mol
LogP3.70
Rot. Bonds6

About [5-[2,4-difluoro-3-[(4-methoxyphenyl)methoxy]phenyl]-1,2-oxazol-3-yl]methanol

[5-[2,4-difluoro-3-[(4-methoxyphenyl)methoxy]phenyl]-1,2-oxazol-3-yl]methanol (PubChem CID 170431668) has the molecular formula C18H15F2NO4 and a molecular weight of 347.32 g/mol. Its IUPAC name is [5-[2,4-difluoro-3-[(4-methoxyphenyl)methoxy]phenyl]-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[2,4-difluoro-3-[(4-methoxyphenyl)methoxy]phenyl]-1,2-oxazol-3-yl]methanol
PubChem CID170431668
Molecular FormulaC18H15F2NO4
Molecular Weight347.32 g/mol
Exact Mass347.10
IUPAC Name[5-[2,4-difluoro-3-[(4-methoxyphenyl)methoxy]phenyl]-1,2-oxazol-3-yl]methanol
SMILESCOc1ccc(COc2c(F)ccc(-c3cc(CO)no3)c2F)cc1
InChIInChI=1S/C18H15F2NO4/c1-23-13-4-2-11(3-5-13)10-24-18-15(19)7-6-14(17(18)20)16-8-12(9-22)21-25-16/h2-8,22H,9-10H2,1H3
InChIKeyVFOAPPDNBRFGLF-UHFFFAOYSA-N
XLogP3.70
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[2,4-difluoro-3-[(4-methoxyphenyl)methoxy]phenyl]-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-[2,4-difluoro-3-[(4-methoxyphenyl)methoxy]phenyl]-1,2-oxazol-3-yl]methanol (CID 170431668) is [5-[2,4-difluoro-3-[(4-methoxyphenyl)methoxy]phenyl]-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-[2,4-difluoro-3-[(4-methoxyphenyl)methoxy]phenyl]-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-[2,4-difluoro-3-[(4-methoxyphenyl)methoxy]phenyl]-1,2-oxazol-3-yl]methanol is COc1ccc(COc2c(F)ccc(-c3cc(CO)no3)c2F)cc1.
What is the InChIKey of [5-[2,4-difluoro-3-[(4-methoxyphenyl)methoxy]phenyl]-1,2-oxazol-3-yl]methanol?
The InChIKey is VFOAPPDNBRFGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO4/c1-23-13-4-2-11(3-5-13)10-24-18-15(19)7-6-14(17(18)20)16-8-12(9-22)21-25-16/h2-8,22H,9-10H2,1H3.
What are the key properties of [5-[2,4-difluoro-3-[(4-methoxyphenyl)methoxy]phenyl]-1,2-oxazol-3-yl]methanol?
[5-[2,4-difluoro-3-[(4-methoxyphenyl)methoxy]phenyl]-1,2-oxazol-3-yl]methanol has a molecular weight of 347.32 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2,4-difluoro-3-[(4-methoxyphenyl)methoxy]phenyl]-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 170431668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).