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

C20H13F4N5O3 — CID 67347927

IUPACN-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESO=C(NCCc1coc(-c2ccccc2F)n1)c1cncc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C20H13F4N5O3/c21-15-4-2-1-3-14(15)18-27-13(10-31-18)5-6-26-17(30)12-7-11(8-25-9-12)16-28-19(32-29-16)20(22,23)24/h1-4,7-10H,5-6H2,(H,26,30)
InChIKeyUUEVQXMIQOYWAA-UHFFFAOYSA-N
MW447.35 g/mol
LogP3.92
Rot. Bonds6

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

N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (PubChem CID 67347927) has the molecular formula C20H13F4N5O3 and a molecular weight of 447.35 g/mol. Its IUPAC name is N-[2-[2-(2-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-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
PubChem CID67347927
Molecular FormulaC20H13F4N5O3
Molecular Weight447.35 g/mol
Exact Mass447.10
IUPAC NameN-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESO=C(NCCc1coc(-c2ccccc2F)n1)c1cncc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C20H13F4N5O3/c21-15-4-2-1-3-14(15)18-27-13(10-31-18)5-6-26-17(30)12-7-11(8-25-9-12)16-28-19(32-29-16)20(22,23)24/h1-4,7-10H,5-6H2,(H,26,30)
InChIKeyUUEVQXMIQOYWAA-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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Related Compounds

N-(2-Methyl-2-(2-phenyloxazol-4-yl)propyl)-3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzamide
CID 67324851
US11066396, Example 360
CID 132258851
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide
CID 136203285
N-[(Furan-2-YL)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-YL)pyridin-2-amine
CID 16016140
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,3-oxazole-5-carboxamide
CID 72204710
N-[4-fluoro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,3-oxazole-5-carboxamide
CID 72205080
N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 164881626
N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl](18F)benzamide
CID 168279724
(S)-N-(6-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylisonicotinamide
CID 139330761
N-(6-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylisonicotinamide
CID 139330763
4-(3-{[5-Methyl-2-(3-methylphenyl)-1,3-oxazol-4-YL]methyl}-1,2,4-oxadiazol-5-YL)pyridine
CID 53176373
1-(Furan-2-ylmethyl)-3-(1-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)cyclohexyl)urea
CID 71792067

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-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-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (CID 67347927) is N-[2-[2-(2-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-(2-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-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is O=C(NCCc1coc(-c2ccccc2F)n1)c1cncc(-c2noc(C(F)(F)F)n2)c1.
What is the InChIKey of N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The InChIKey is UUEVQXMIQOYWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5O3/c21-15-4-2-1-3-14(15)18-27-13(10-31-18)5-6-26-17(30)12-7-11(8-25-9-12)16-28-19(32-29-16)20(22,23)24/h1-4,7-10H,5-6H2,(H,26,30).
What are the key properties of N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
N-[2-[2-(2-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-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67347927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).