N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide

C16H12FN3O3 — CID 5139424

IUPACN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H12FN3O3/c17-12-8-6-11(7-9-12)15-19-20-16(23-15)18-14(21)10-22-13-4-2-1-3-5-13/h1-9H,10H2,(H,18,20,21)
InChIKeyYFMXPTBQTPJQLO-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.89
Rot. Bonds5

About N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide

N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide (PubChem CID 5139424) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
PubChem CID5139424
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H12FN3O3/c17-12-8-6-11(7-9-12)15-19-20-16(23-15)18-14(21)10-22-13-4-2-1-3-5-13/h1-9H,10H2,(H,18,20,21)
InChIKeyYFMXPTBQTPJQLO-UHFFFAOYSA-N
XLogP2.89
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-1,3,4-oxadiazol-2-yl)-4-fluorobenzamide
CID 4124689
4-fluoro-N-(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4686761
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] furan-2-carboxylate
CID 7814111
3-fluoro-N-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4626316
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide
CID 5076360
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide
CID 2124393
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-phenoxybenzoate
CID 2127774
2-phenoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 3373841
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
CID 3483535
N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-propan-2-yloxybenzamide
CID 4228398
N-(5-(5,6-dihydro-1,4-dioxin-2-yl)-1,3,4-oxadiazol-2-yl)-4-ethoxybenzamide
CID 4638239
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 4649009

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide (CID 5139424) is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide?
The InChIKey is YFMXPTBQTPJQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3/c17-12-8-6-11(7-9-12)15-19-20-16(23-15)18-14(21)10-22-13-4-2-1-3-5-13/h1-9H,10H2,(H,18,20,21).
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide?
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide has a molecular weight of 313.29 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 5139424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).