2-ethyl-5-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-1,3-oxazole-4-carbonitrile

C16H14FN5O2 — CID 51699869

IUPAC2-ethyl-5-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-1,3-oxazole-4-carbonitrile
SMILESCCc1nc(C#N)c(NCCc2nc(-c3ccc(F)cc3)no2)o1
InChIInChI=1S/C16H14FN5O2/c1-2-13-20-12(9-18)16(23-13)19-8-7-14-21-15(22-24-14)10-3-5-11(17)6-4-10/h3-6,19H,2,7-8H2,1H3
InChIKeyGWGLTFHAYQXTHN-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.95
Rot. Bonds6

About 2-ethyl-5-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-1,3-oxazole-4-carbonitrile

2-ethyl-5-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-1,3-oxazole-4-carbonitrile (PubChem CID 51699869) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is 2-ethyl-5-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-ethyl-5-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-1,3-oxazole-4-carbonitrile
PubChem CID51699869
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Name2-ethyl-5-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-1,3-oxazole-4-carbonitrile
SMILESCCc1nc(C#N)c(NCCc2nc(-c3ccc(F)cc3)no2)o1
InChIInChI=1S/C16H14FN5O2/c1-2-13-20-12(9-18)16(23-13)19-8-7-14-21-15(22-24-14)10-3-5-11(17)6-4-10/h3-6,19H,2,7-8H2,1H3
InChIKeyGWGLTFHAYQXTHN-UHFFFAOYSA-N
XLogP2.95
TPSA100.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-oxazole-4-carbonitrile
CID 154811073
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 83279519
3,5-difluoro-4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]benzonitrile
CID 133465072
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 27256344
3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 133465065
2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]pyridine-3-carbonitrile
CID 133465110
5-[2-(dimethylsulfamoylamino)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 110323562
tert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 171336753
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 60672066
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
CID 65285630
4-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110323565
5-(ethylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 3152479

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-ethyl-5-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-1,3-oxazole-4-carbonitrile (CID 51699869) is 2-ethyl-5-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-ethyl-5-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-ethyl-5-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-1,3-oxazole-4-carbonitrile is CCc1nc(C#N)c(NCCc2nc(-c3ccc(F)cc3)no2)o1.
What is the InChIKey of 2-ethyl-5-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-1,3-oxazole-4-carbonitrile?
The InChIKey is GWGLTFHAYQXTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c1-2-13-20-12(9-18)16(23-13)19-8-7-14-21-15(22-24-14)10-3-5-11(17)6-4-10/h3-6,19H,2,7-8H2,1H3.
What are the key properties of 2-ethyl-5-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-1,3-oxazole-4-carbonitrile?
2-ethyl-5-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-1,3-oxazole-4-carbonitrile has a molecular weight of 327.32 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 51699869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).