3-[4-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazole

C11H11FN2O — CID 91422984

IUPAC3-[4-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazole
SMILESCC(C)(F)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C11H11FN2O/c1-11(2,12)9-5-3-8(4-6-9)10-13-7-15-14-10/h3-7H,1-2H3
InChIKeyLDTIYGKIPLAICC-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.94
Rot. Bonds2

About 3-[4-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazole

3-[4-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 91422984) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 3-[4-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazole
PubChem CID91422984
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name3-[4-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazole
SMILESCC(C)(F)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C11H11FN2O/c1-11(2,12)9-5-3-8(4-6-9)10-13-7-15-14-10/h3-7H,1-2H3
InChIKeyLDTIYGKIPLAICC-UHFFFAOYSA-N
XLogP2.94
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[4-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,2,4-oxadiazol-3-yl)phenol
CID 135760588
3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 134228404
4-(1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride
CID 84704593
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119629350
3-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]-1,2,4-oxadiazole
CID 174462824
fluorocyclopropane;methanamine;3-(4-methylphenyl)-1,2,4-oxadiazole
CID 178051213
3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 54772290
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119629349
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 109381223
3-[2-deuterio-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 175767600
3-[4-(chloromethyl)phenyl]-1,2,4-oxadiazole
CID 134817589
3-(2-fluoropropan-2-yl)-1,2,4-oxadiazole
CID 123392447

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazole (CID 91422984) is 3-[4-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazole is CC(C)(F)c1ccc(-c2ncon2)cc1.
What is the InChIKey of 3-[4-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is LDTIYGKIPLAICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-11(2,12)9-5-3-8(4-6-9)10-13-7-15-14-10/h3-7H,1-2H3.
What are the key properties of 3-[4-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazole?
3-[4-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 206.22 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 91422984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).