N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine

C13H11BrF3N3O — CID 106212426

IUPACN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCc2nnc(-c3ccccc3Br)o2)CC1
InChIInChI=1S/C13H11BrF3N3O/c14-9-4-2-1-3-8(9)11-20-19-10(21-11)7-18-12(5-6-12)13(15,16)17/h1-4,18H,5-7H2
InChIKeyZUBAVOGMYYRPPL-UHFFFAOYSA-N
MW362.15 g/mol
LogP3.68
Rot. Bonds4

About N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106212426) has the molecular formula C13H11BrF3N3O and a molecular weight of 362.15 g/mol. Its IUPAC name is N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106212426
Molecular FormulaC13H11BrF3N3O
Molecular Weight362.15 g/mol
Exact Mass361.00
IUPAC NameN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCc2nnc(-c3ccccc3Br)o2)CC1
InChIInChI=1S/C13H11BrF3N3O/c14-9-4-2-1-3-8(9)11-20-19-10(21-11)7-18-12(5-6-12)13(15,16)17/h1-4,18H,5-7H2
InChIKeyZUBAVOGMYYRPPL-UHFFFAOYSA-N
XLogP3.68
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.15
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-chloroaniline
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1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80726258
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(oxan-4-yl)methanamine
CID 63711321
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridazin-3-ylmethanamine
CID 106895821
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylbutan-2-ol
CID 65106277
2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82160241
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyloxolan-3-amine
CID 82725575
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentan-2-ol
CID 106292907
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(thiolan-3-yl)methanamine
CID 107295824
2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643063
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pent-3-yn-1-amine
CID 116643795
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]aniline
CID 43249000

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106212426) is N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine is FC(F)(F)C1(NCc2nnc(-c3ccccc3Br)o2)CC1.
What is the InChIKey of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is ZUBAVOGMYYRPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3N3O/c14-9-4-2-1-3-8(9)11-20-19-10(21-11)7-18-12(5-6-12)13(15,16)17/h1-4,18H,5-7H2.
What are the key properties of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 362.15 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106212426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).