2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole

C17H15FN2O — CID 43913128

IUPAC2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole
SMILESCCC(c1ccccc1)c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C17H15FN2O/c1-2-13(12-8-4-3-5-9-12)16-19-20-17(21-16)14-10-6-7-11-15(14)18/h3-11,13H,2H2,1H3
InChIKeyQHMSRCTWZHIMGZ-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.42
Rot. Bonds4

About 2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole

2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole (PubChem CID 43913128) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole
PubChem CID43913128
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole
SMILESCCC(c1ccccc1)c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C17H15FN2O/c1-2-13(12-8-4-3-5-9-12)16-19-20-17(21-16)14-10-6-7-11-15(14)18/h3-11,13H,2H2,1H3
InChIKeyQHMSRCTWZHIMGZ-UHFFFAOYSA-N
XLogP4.42
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 82131404
2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 16768252
2-(3-bromophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole
CID 43913092
N-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxyaniline
CID 92700747
N-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62137199
4-bromo-N-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-methylaniline
CID 41123778
1-[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 81461547
2-(4-bromo-2-fluorophenyl)-5-(1-bromopropyl)-1,3,4-oxadiazole
CID 55124393
2-benzhydryl-5-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole
CID 3576831
N-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 106855933
2-(1-bromopropyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 62856199
1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62164944

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole (CID 43913128) is 2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole is CCC(c1ccccc1)c1nnc(-c2ccccc2F)o1.
What is the InChIKey of 2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole?
The InChIKey is QHMSRCTWZHIMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-2-13(12-8-4-3-5-9-12)16-19-20-17(21-16)14-10-6-7-11-15(14)18/h3-11,13H,2H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole?
2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole has a molecular weight of 282.32 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 43913128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).