2-[chloro(phenyl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole

C15H10ClFN2O — CID 43245573

IUPAC2-[chloro(phenyl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(C(Cl)c3ccccc3)o2)c1
InChIInChI=1S/C15H10ClFN2O/c16-13(10-5-2-1-3-6-10)15-19-18-14(20-15)11-7-4-8-12(17)9-11/h1-9,13H
InChIKeyJCRJQGRPZKPHTM-UHFFFAOYSA-N
MW288.71 g/mol
LogP4.20
Rot. Bonds3

About 2-[chloro(phenyl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole

2-[chloro(phenyl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 43245573) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 2-[chloro(phenyl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[chloro(phenyl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
PubChem CID43245573
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name2-[chloro(phenyl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(C(Cl)c3ccccc3)o2)c1
InChIInChI=1S/C15H10ClFN2O/c16-13(10-5-2-1-3-6-10)15-19-18-14(20-15)11-7-4-8-12(17)9-11/h1-9,13H
InChIKeyJCRJQGRPZKPHTM-UHFFFAOYSA-N
XLogP4.20
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62164426
(1R)-1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 42046788
1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride
CID 71692413
2-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 53495022
4-chloro-N-[(R)-(4-chlorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 41142900
2-[chloro(phenyl)methyl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 43245591
2-[chloro(phenyl)methyl]-5-(4-methylthiophen-3-yl)-1,3,4-oxadiazole
CID 79802151
5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 69195393
2-butan-2-yl-5-[4-(3-fluorophenyl)phenyl]-1,3,4-oxadiazole
CID 71088442
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 859864
N-[(R)-(3-chlorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxyaniline
CID 28777194
2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 43913057

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(phenyl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[chloro(phenyl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole (CID 43245573) is 2-[chloro(phenyl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[chloro(phenyl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[chloro(phenyl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole is Fc1cccc(-c2nnc(C(Cl)c3ccccc3)o2)c1.
What is the InChIKey of 2-[chloro(phenyl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is JCRJQGRPZKPHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c16-13(10-5-2-1-3-6-10)15-19-18-14(20-15)11-7-4-8-12(17)9-11/h1-9,13H.
What are the key properties of 2-[chloro(phenyl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
2-[chloro(phenyl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 288.71 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(phenyl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 43245573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).