2-[2-(2-fluoro-6-propan-2-yloxyphenyl)phenyl]-5-methyl-1,3,4-oxadiazole

C18H17FN2O2 — CID 56719832

IUPAC2-[2-(2-fluoro-6-propan-2-yloxyphenyl)phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccccc2-c2c(F)cccc2OC(C)C)o1
InChIInChI=1S/C18H17FN2O2/c1-11(2)22-16-10-6-9-15(19)17(16)13-7-4-5-8-14(13)18-21-20-12(3)23-18/h4-11H,1-3H3
InChIKeyNSVUYLBKAMAEQV-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.64
Rot. Bonds4

About 2-[2-(2-fluoro-6-propan-2-yloxyphenyl)phenyl]-5-methyl-1,3,4-oxadiazole

2-[2-(2-fluoro-6-propan-2-yloxyphenyl)phenyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 56719832) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-[2-(2-fluoro-6-propan-2-yloxyphenyl)phenyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(2-fluoro-6-propan-2-yloxyphenyl)phenyl]-5-methyl-1,3,4-oxadiazole
PubChem CID56719832
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name2-[2-(2-fluoro-6-propan-2-yloxyphenyl)phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccccc2-c2c(F)cccc2OC(C)C)o1
InChIInChI=1S/C18H17FN2O2/c1-11(2)22-16-10-6-9-15(19)17(16)13-7-4-5-8-14(13)18-21-20-12(3)23-18/h4-11H,1-3H3
InChIKeyNSVUYLBKAMAEQV-UHFFFAOYSA-N
XLogP4.64
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
[2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 135391526
2-(2-fluoro-5-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole
CID 59134596
2-(2-fluoro-6-propan-2-yloxyphenyl)furan
CID 168526834
2-(2-fluoro-6-pyrimidin-4-ylphenyl)-5-methyl-1,3,4-oxadiazole
CID 145311662
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 19554513
2-methyl-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 131089626
[2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] 4-methylbenzenesulfonate
CID 137346309
1-[5-(2-fluoro-6-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65433692
2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 16768252
[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanol
CID 56709300
7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine
CID 90645217

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-6-propan-2-yloxyphenyl)phenyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(2-fluoro-6-propan-2-yloxyphenyl)phenyl]-5-methyl-1,3,4-oxadiazole (CID 56719832) is 2-[2-(2-fluoro-6-propan-2-yloxyphenyl)phenyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(2-fluoro-6-propan-2-yloxyphenyl)phenyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(2-fluoro-6-propan-2-yloxyphenyl)phenyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2ccccc2-c2c(F)cccc2OC(C)C)o1.
What is the InChIKey of 2-[2-(2-fluoro-6-propan-2-yloxyphenyl)phenyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is NSVUYLBKAMAEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-11(2)22-16-10-6-9-15(19)17(16)13-7-4-5-8-14(13)18-21-20-12(3)23-18/h4-11H,1-3H3.
What are the key properties of 2-[2-(2-fluoro-6-propan-2-yloxyphenyl)phenyl]-5-methyl-1,3,4-oxadiazole?
2-[2-(2-fluoro-6-propan-2-yloxyphenyl)phenyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 312.34 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-6-propan-2-yloxyphenyl)phenyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 56719832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).