4-[2-[4-(fluoromethoxy)phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline

C18H17FN2O2 — CID 67094230

IUPAC4-[2-[4-(fluoromethoxy)phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc(-c3ccc(OCF)cc3)o2)cc1
InChIInChI=1S/C18H17FN2O2/c1-21(2)15-7-3-13(4-8-15)17-11-20-18(23-17)14-5-9-16(10-6-14)22-12-19/h3-11H,12H2,1-2H3
InChIKeySOZVRBXNCUTMHV-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.38
Rot. Bonds5

About 4-[2-[4-(fluoromethoxy)phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline

4-[2-[4-(fluoromethoxy)phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline (PubChem CID 67094230) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-[2-[4-(fluoromethoxy)phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[4-(fluoromethoxy)phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline
PubChem CID67094230
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name4-[2-[4-(fluoromethoxy)phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc(-c3ccc(OCF)cc3)o2)cc1
InChIInChI=1S/C18H17FN2O2/c1-21(2)15-7-3-13(4-8-15)17-11-20-18(23-17)14-5-9-16(10-6-14)22-12-19/h3-11H,12H2,1-2H3
InChIKeySOZVRBXNCUTMHV-UHFFFAOYSA-N
XLogP4.38
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(fluoromethoxy)phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[4-(fluoromethoxy)phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline (CID 67094230) is 4-[2-[4-(fluoromethoxy)phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[4-(fluoromethoxy)phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[4-(fluoromethoxy)phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2cnc(-c3ccc(OCF)cc3)o2)cc1.
What is the InChIKey of 4-[2-[4-(fluoromethoxy)phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline?
The InChIKey is SOZVRBXNCUTMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-21(2)15-7-3-13(4-8-15)17-11-20-18(23-17)14-5-9-16(10-6-14)22-12-19/h3-11H,12H2,1-2H3.
What are the key properties of 4-[2-[4-(fluoromethoxy)phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline?
4-[2-[4-(fluoromethoxy)phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline has a molecular weight of 312.34 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(fluoromethoxy)phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 67094230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).