N-[(4-bromo-2-fluorophenyl)methyl]-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine

C10H7BrF3N3O — CID 171803298

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine
SMILESFc1cc(Br)ccc1CNc1nnc(C(F)F)o1
InChIInChI=1S/C10H7BrF3N3O/c11-6-2-1-5(7(12)3-6)4-15-10-17-16-9(18-10)8(13)14/h1-3,8H,4H2,(H,15,17)
InChIKeyRERZNNFUTLGSPA-UHFFFAOYSA-N
MW322.08 g/mol
LogP3.52
Rot. Bonds4

About N-[(4-bromo-2-fluorophenyl)methyl]-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine

N-[(4-bromo-2-fluorophenyl)methyl]-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 171803298) has the molecular formula C10H7BrF3N3O and a molecular weight of 322.08 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine
PubChem CID171803298
Molecular FormulaC10H7BrF3N3O
Molecular Weight322.08 g/mol
Exact Mass320.97
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine
SMILESFc1cc(Br)ccc1CNc1nnc(C(F)F)o1
InChIInChI=1S/C10H7BrF3N3O/c11-6-2-1-5(7(12)3-6)4-15-10-17-16-9(18-10)8(13)14/h1-3,8H,4H2,(H,15,17)
InChIKeyRERZNNFUTLGSPA-UHFFFAOYSA-N
XLogP3.52
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.08
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 118740620
N-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 118740621
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 141195043
N-[2-fluoro-4-(trifluoromethyl)benzyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 72916026
N-[(4-fluorophenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 75445989
5-propan-2-yl-N-[(2,4,5-trifluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 75483600
N-[(3,5-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 75483602
N-[(2,6-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 75498245
5-propan-2-yl-N-[(3,4,5-trifluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 75498254
N-[(3,5-difluorophenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 75498268
N-[(2,6-difluorophenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 75498277
5-propyl-N-[(3,4,5-trifluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 75498283

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine (CID 171803298) is N-[(4-bromo-2-fluorophenyl)methyl]-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine is Fc1cc(Br)ccc1CNc1nnc(C(F)F)o1.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is RERZNNFUTLGSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3N3O/c11-6-2-1-5(7(12)3-6)4-15-10-17-16-9(18-10)8(13)14/h1-3,8H,4H2,(H,15,17).
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine?
N-[(4-bromo-2-fluorophenyl)methyl]-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 322.08 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 171803298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).