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

C20H13F4N5O3 — CID 67346988

IUPACN-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESO=C(NCCc1coc(-c2cccc(F)c2)n1)c1cncc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C20H13F4N5O3/c21-14-3-1-2-11(7-14)18-27-15(10-31-18)4-5-26-17(30)13-6-12(8-25-9-13)16-28-19(32-29-16)20(22,23)24/h1-3,6-10H,4-5H2,(H,26,30)
InChIKeyAJUUSGCBBXQBPW-UHFFFAOYSA-N
MW447.35 g/mol
LogP3.92
Rot. Bonds6

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

N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (PubChem CID 67346988) has the molecular formula C20H13F4N5O3 and a molecular weight of 447.35 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
PubChem CID67346988
Molecular FormulaC20H13F4N5O3
Molecular Weight447.35 g/mol
Exact Mass447.10
IUPAC NameN-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESO=C(NCCc1coc(-c2cccc(F)c2)n1)c1cncc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C20H13F4N5O3/c21-14-3-1-2-11(7-14)18-27-15(10-31-18)4-5-26-17(30)13-6-12(8-25-9-13)16-28-19(32-29-16)20(22,23)24/h1-3,6-10H,4-5H2,(H,26,30)
InChIKeyAJUUSGCBBXQBPW-UHFFFAOYSA-N
XLogP3.92
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (CID 67346988) is N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is O=C(NCCc1coc(-c2cccc(F)c2)n1)c1cncc(-c2noc(C(F)(F)F)n2)c1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The InChIKey is AJUUSGCBBXQBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5O3/c21-14-3-1-2-11(7-14)18-27-15(10-31-18)4-5-26-17(30)13-6-12(8-25-9-13)16-28-19(32-29-16)20(22,23)24/h1-3,6-10H,4-5H2,(H,26,30).
What are the key properties of N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide has a molecular weight of 447.35 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67346988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).