2-(2-fluoro-5-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole

C12H13FN2O — CID 59134596

IUPAC2-(2-fluoro-5-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc(C(C)C)ccc2F)o1
InChIInChI=1S/C12H13FN2O/c1-7(2)9-4-5-11(13)10(6-9)12-15-14-8(3)16-12/h4-7H,1-3H3
InChIKeyPLGQLKBYZKEWQO-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.31
Rot. Bonds2

About 2-(2-fluoro-5-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole

2-(2-fluoro-5-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 59134596) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(2-fluoro-5-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-fluoro-5-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole
PubChem CID59134596
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-(2-fluoro-5-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc(C(C)C)ccc2F)o1
InChIInChI=1S/C12H13FN2O/c1-7(2)9-4-5-11(13)10(6-9)12-15-14-8(3)16-12/h4-7H,1-3H3
InChIKeyPLGQLKBYZKEWQO-UHFFFAOYSA-N
XLogP3.31
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-fluoro-6-propan-2-yloxyphenyl)phenyl]-5-methyl-1,3,4-oxadiazole
CID 56719832
4-(2-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117314028
1-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62162522
N-[2-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62164500
4-(2-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole
CID 121383038
methyl 3-[1-(3,4-difluorophenyl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-sulfanylidene-1H-imidazole-4-carboxylate
CID 11689430
2-methyl-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 131089626
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
2-(4-fluoro-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole
CID 56648793
3-fluoro-4-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 60534651
2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole
CID 114771851
1,2-difluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
CID 157456603

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-fluoro-5-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole (CID 59134596) is 2-(2-fluoro-5-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-fluoro-5-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-fluoro-5-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2cc(C(C)C)ccc2F)o1.
What is the InChIKey of 2-(2-fluoro-5-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is PLGQLKBYZKEWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-7(2)9-4-5-11(13)10(6-9)12-15-14-8(3)16-12/h4-7H,1-3H3.
What are the key properties of 2-(2-fluoro-5-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole?
2-(2-fluoro-5-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 220.25 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 59134596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).