2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole

C14H16F2N2O — CID 58142760

IUPAC2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(-c2cc(F)c(C(C)C)cc2F)o1
InChIInChI=1S/C14H16F2N2O/c1-4-5-13-17-18-14(19-13)10-7-11(15)9(8(2)3)6-12(10)16/h6-8H,4-5H2,1-3H3
InChIKeyGOXUYTHTNMRHFJ-UHFFFAOYSA-N
MW266.29 g/mol
LogP4.09
Rot. Bonds4

About 2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole

2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole (PubChem CID 58142760) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole
PubChem CID58142760
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(-c2cc(F)c(C(C)C)cc2F)o1
InChIInChI=1S/C14H16F2N2O/c1-4-5-13-17-18-14(19-13)10-7-11(15)9(8(2)3)6-12(10)16/h6-8H,4-5H2,1-3H3
InChIKeyGOXUYTHTNMRHFJ-UHFFFAOYSA-N
XLogP4.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2-fluorophenyl)-5-propyl-1,3,4-oxadiazole
CID 107951358
N-[2-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62164500
2-(1,3-dimethylpyrazol-4-yl)-5-propyl-1,3,4-oxadiazole
CID 170382996
3-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62138908
3-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62138175
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
[2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid
CID 58343827
4-[5-(4-chloro-2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 82771499
3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline
CID 113452620
2-[5-(4-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069536
2-(1-chloroethyl)-5-propyl-1,3,4-oxadiazole
CID 43513036
N-[[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62139410

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole?
The IUPAC name of 2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole (CID 58142760) is 2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole is CCCc1nnc(-c2cc(F)c(C(C)C)cc2F)o1.
What is the InChIKey of 2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole?
The InChIKey is GOXUYTHTNMRHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-4-5-13-17-18-14(19-13)10-7-11(15)9(8(2)3)6-12(10)16/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole?
2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole has a molecular weight of 266.29 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole is sourced from PubChem (CID 58142760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).