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

C18H16FN3O2 — CID 110320940

IUPACN-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCc2nnc(-c3ccccc3F)o2)c1
InChIInChI=1S/C18H16FN3O2/c1-12-5-4-6-13(11-12)17(23)20-10-9-16-21-22-18(24-16)14-7-2-3-8-15(14)19/h2-8,11H,9-10H2,1H3,(H,20,23)
InChIKeyZDODIMBSEPWRCK-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.16
Rot. Bonds5

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

N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzamide (PubChem CID 110320940) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzamide
PubChem CID110320940
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCc2nnc(-c3ccccc3F)o2)c1
InChIInChI=1S/C18H16FN3O2/c1-12-5-4-6-13(11-12)17(23)20-10-9-16-21-22-18(24-16)14-7-2-3-8-15(14)19/h2-8,11H,9-10H2,1H3,(H,20,23)
InChIKeyZDODIMBSEPWRCK-UHFFFAOYSA-N
XLogP3.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 110320949
N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-difluorobenzamide
CID 110321560
3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321720
N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110318958
1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenylurea
CID 110320970
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-thiophen-2-ylacetamide
CID 110320957
N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-4-carboxamide
CID 110321211
2,3,4-trifluoro-N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321334
2-fluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321716
3-chloro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110641258
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylbenzamide
CID 110319780
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide
CID 110323931

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzamide (CID 110320940) is N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCc2nnc(-c3ccccc3F)o2)c1.
What is the InChIKey of N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzamide?
The InChIKey is ZDODIMBSEPWRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-12-5-4-6-13(11-12)17(23)20-10-9-16-21-22-18(24-16)14-7-2-3-8-15(14)19/h2-8,11H,9-10H2,1H3,(H,20,23).
What are the key properties of N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzamide?
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzamide has a molecular weight of 325.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzamide is sourced from PubChem (CID 110320940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).