2-[4-[[5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl]amino]phenyl]ethanol

C18H16F2N2O2 — CID 46885996

IUPAC2-[4-[[5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl]amino]phenyl]ethanol
SMILESOCCc1ccc(Nc2ncc(Cc3c(F)cccc3F)o2)cc1
InChIInChI=1S/C18H16F2N2O2/c19-16-2-1-3-17(20)15(16)10-14-11-21-18(24-14)22-13-6-4-12(5-7-13)8-9-23/h1-7,11,23H,8-10H2,(H,21,22)
InChIKeyDYCNKMUILFIWRM-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.82
Rot. Bonds6

About 2-[4-[[5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl]amino]phenyl]ethanol

2-[4-[[5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl]amino]phenyl]ethanol (PubChem CID 46885996) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is 2-[4-[[5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl]amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl]amino]phenyl]ethanol
PubChem CID46885996
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name2-[4-[[5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl]amino]phenyl]ethanol
SMILESOCCc1ccc(Nc2ncc(Cc3c(F)cccc3F)o2)cc1
InChIInChI=1S/C18H16F2N2O2/c19-16-2-1-3-17(20)15(16)10-14-11-21-18(24-14)22-13-6-4-12(5-7-13)8-9-23/h1-7,11,23H,8-10H2,(H,21,22)
InChIKeyDYCNKMUILFIWRM-UHFFFAOYSA-N
XLogP3.82
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl]amino]phenyl]ethanol?
The IUPAC name of 2-[4-[[5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl]amino]phenyl]ethanol (CID 46885996) is 2-[4-[[5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl]amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl]amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[[5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl]amino]phenyl]ethanol is OCCc1ccc(Nc2ncc(Cc3c(F)cccc3F)o2)cc1.
What is the InChIKey of 2-[4-[[5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl]amino]phenyl]ethanol?
The InChIKey is DYCNKMUILFIWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c19-16-2-1-3-17(20)15(16)10-14-11-21-18(24-14)22-13-6-4-12(5-7-13)8-9-23/h1-7,11,23H,8-10H2,(H,21,22).
What are the key properties of 2-[4-[[5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl]amino]phenyl]ethanol?
2-[4-[[5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl]amino]phenyl]ethanol has a molecular weight of 330.33 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl]amino]phenyl]ethanol is sourced from PubChem (CID 46885996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).