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

C14H17FN2O — CID 70775236

IUPAC2-[4-(5-fluoropentyl)phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(CCCCCF)cc2)o1
InChIInChI=1S/C14H17FN2O/c1-11-16-17-14(18-11)13-8-6-12(7-9-13)5-3-2-4-10-15/h6-9H,2-5,10H2,1H3
InChIKeyFCLPCCFNVXIJCP-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.73
Rot. Bonds6

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

2-[4-(5-fluoropentyl)phenyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 70775236) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-[4-(5-fluoropentyl)phenyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(5-fluoropentyl)phenyl]-5-methyl-1,3,4-oxadiazole
PubChem CID70775236
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-[4-(5-fluoropentyl)phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(CCCCCF)cc2)o1
InChIInChI=1S/C14H17FN2O/c1-11-16-17-14(18-11)13-8-6-12(7-9-13)5-3-2-4-10-15/h6-9H,2-5,10H2,1H3
InChIKeyFCLPCCFNVXIJCP-UHFFFAOYSA-N
XLogP3.73
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanamine
CID 82469844
1-(5-fluoropentyl)-4-methylbenzene
CID 172812127
4-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propyl]morpholine
CID 170870126
2-(4-octylphenyl)-5-[6-[5-(4-octylphenyl)-1,3,4-oxadiazol-2-yl]-1,2,4,5-tetrazin-3-yl]-1,3,4-oxadiazole
CID 10651109
2-(4-bromophenyl)-5-(4-octylphenyl)-1,3,4-oxadiazole
CID 23522268
1-(5-fluoropentyl)-4-phenylbenzene
CID 20663493
2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 15868581
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylaniline
CID 165056405
2-(4-butylphenyl)-5-[3-[5-(4-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 59935127
2-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 70310265
1,3-difluoro-5-[4-(7-fluoroheptyl)phenyl]-2-(4-methylphenyl)benzene
CID 20663476
2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole
CID 53017476

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoropentyl)phenyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(5-fluoropentyl)phenyl]-5-methyl-1,3,4-oxadiazole (CID 70775236) is 2-[4-(5-fluoropentyl)phenyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(5-fluoropentyl)phenyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(5-fluoropentyl)phenyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2ccc(CCCCCF)cc2)o1.
What is the InChIKey of 2-[4-(5-fluoropentyl)phenyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is FCLPCCFNVXIJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-11-16-17-14(18-11)13-8-6-12(7-9-13)5-3-2-4-10-15/h6-9H,2-5,10H2,1H3.
What are the key properties of 2-[4-(5-fluoropentyl)phenyl]-5-methyl-1,3,4-oxadiazole?
2-[4-(5-fluoropentyl)phenyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 248.30 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoropentyl)phenyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 70775236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).