N-ethyl-5-(4-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide

C17H14FN3O2 — CID 110392696

IUPACN-ethyl-5-(4-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCN(C(=O)c1nnc(-c2ccc(F)cc2)o1)c1ccccc1
InChIInChI=1S/C17H14FN3O2/c1-2-21(14-6-4-3-5-7-14)17(22)16-20-19-15(23-16)12-8-10-13(18)11-9-12/h3-11H,2H2,1H3
InChIKeyFJOGDNJERGMKMU-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.54
Rot. Bonds4

About N-ethyl-5-(4-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide

N-ethyl-5-(4-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392696) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-ethyl-5-(4-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(4-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392696
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-ethyl-5-(4-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCN(C(=O)c1nnc(-c2ccc(F)cc2)o1)c1ccccc1
InChIInChI=1S/C17H14FN3O2/c1-2-21(14-6-4-3-5-7-14)17(22)16-20-19-15(23-16)12-8-10-13(18)11-9-12/h3-11H,2H2,1H3
InChIKeyFJOGDNJERGMKMU-UHFFFAOYSA-N
XLogP3.54
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Piperazine, 1-phenyl-4-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)-
CID 3080234
4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 865618
2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 4665154
N,N-Diethyl-2-{4-[2-fluoro-4-(5-isopropyl-[1,3,4]oxadiazol-2-yl)-phenyl]-piperazin-1-yl}-2-phenyl-acetamide
CID 42647272
1-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 2243296
N-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-N,3-dimethylaniline
CID 6625048
2-{[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-methyl-N-phenylacetamide
CID 8300983
2-[[3-Methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 15990242
1-(4-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 17392931
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 31337835
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 145969783
5-(4-hydroxyphenyl)-N-methyl-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 168280402

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-ethyl-5-(4-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide (CID 110392696) is N-ethyl-5-(4-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-ethyl-5-(4-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-ethyl-5-(4-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide is CCN(C(=O)c1nnc(-c2ccc(F)cc2)o1)c1ccccc1.
What is the InChIKey of N-ethyl-5-(4-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is FJOGDNJERGMKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-2-21(14-6-4-3-5-7-14)17(22)16-20-19-15(23-16)12-8-10-13(18)11-9-12/h3-11H,2H2,1H3.
What are the key properties of N-ethyl-5-(4-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide?
N-ethyl-5-(4-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).