N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide

C18H16F4N4O3 — CID 53311734

IUPACN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide
SMILESO=C(CCCc1noc(C(F)(F)F)n1)NCCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H16F4N4O3/c19-12-6-4-11(5-7-12)16-24-13(10-28-16)8-9-23-15(27)3-1-2-14-25-17(29-26-14)18(20,21)22/h4-7,10H,1-3,8-9H2,(H,23,27)
InChIKeyLREHVFULWDBNQV-UHFFFAOYSA-N
MW412.34 g/mol
LogP3.56
Rot. Bonds8

About N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide

N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide (PubChem CID 53311734) has the molecular formula C18H16F4N4O3 and a molecular weight of 412.34 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide
PubChem CID53311734
Molecular FormulaC18H16F4N4O3
Molecular Weight412.34 g/mol
Exact Mass412.12
IUPAC NameN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide
SMILESO=C(CCCc1noc(C(F)(F)F)n1)NCCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H16F4N4O3/c19-12-6-4-11(5-7-12)16-24-13(10-28-16)8-9-23-15(27)3-1-2-14-25-17(29-26-14)18(20,21)22/h4-7,10H,1-3,8-9H2,(H,23,27)
InChIKeyLREHVFULWDBNQV-UHFFFAOYSA-N
XLogP3.56
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide (CID 53311734) is N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide is O=C(CCCc1noc(C(F)(F)F)n1)NCCc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide?
The InChIKey is LREHVFULWDBNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N4O3/c19-12-6-4-11(5-7-12)16-24-13(10-28-16)8-9-23-15(27)3-1-2-14-25-17(29-26-14)18(20,21)22/h4-7,10H,1-3,8-9H2,(H,23,27).
What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide?
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide has a molecular weight of 412.34 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide is sourced from PubChem (CID 53311734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).