3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol

C11H9BrF2N2O2 — CID 55202022

IUPAC3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
SMILESOC(Cc1nc(-c2ccccc2Br)no1)C(F)F
InChIInChI=1S/C11H9BrF2N2O2/c12-7-4-2-1-3-6(7)11-15-9(18-16-11)5-8(17)10(13)14/h1-4,8,10,17H,5H2
InChIKeyDLZDOGKCMULDIC-UHFFFAOYSA-N
MW319.11 g/mol
LogP2.67
Rot. Bonds4

About 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol

3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol (PubChem CID 55202022) has the molecular formula C11H9BrF2N2O2 and a molecular weight of 319.11 g/mol. Its IUPAC name is 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
PubChem CID55202022
Molecular FormulaC11H9BrF2N2O2
Molecular Weight319.11 g/mol
Exact Mass317.98
IUPAC Name3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
SMILESOC(Cc1nc(-c2ccccc2Br)no1)C(F)F
InChIInChI=1S/C11H9BrF2N2O2/c12-7-4-2-1-3-6(7)11-15-9(18-16-11)5-8(17)10(13)14/h1-4,8,10,17H,5H2
InChIKeyDLZDOGKCMULDIC-UHFFFAOYSA-N
XLogP2.67
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.11
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63350773
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350731
4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63844567
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-methylethanamine
CID 63350689
3-(2-bromophenyl)-1,1-difluoropropan-2-ol
CID 112699172
1,1-difluoro-3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63349199
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine
CID 63350551
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 115534463
(2R)-2-amino-2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915670
3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
CID 63346227
1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 114015506
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 63346050

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol (CID 55202022) is 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol is OC(Cc1nc(-c2ccccc2Br)no1)C(F)F.
What is the InChIKey of 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
The InChIKey is DLZDOGKCMULDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2N2O2/c12-7-4-2-1-3-6(7)11-15-9(18-16-11)5-8(17)10(13)14/h1-4,8,10,17H,5H2.
What are the key properties of 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol has a molecular weight of 319.11 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 55202022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).