N-[[5-(4-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine

C13H14BrN3O — CID 62138702

IUPACN-[[5-(4-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESCc1cc(Br)ccc1-c1nnc(CNC2CC2)o1
InChIInChI=1S/C13H14BrN3O/c1-8-6-9(14)2-5-11(8)13-17-16-12(18-13)7-15-10-3-4-10/h2,5-6,10,15H,3-4,7H2,1H3
InChIKeyQFTKHXMVMXFCRT-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.06
Rot. Bonds4

About N-[[5-(4-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine

N-[[5-(4-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 62138702) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is N-[[5-(4-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(4-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID62138702
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC NameN-[[5-(4-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESCc1cc(Br)ccc1-c1nnc(CNC2CC2)o1
InChIInChI=1S/C13H14BrN3O/c1-8-6-9(14)2-5-11(8)13-17-16-12(18-13)7-15-10-3-4-10/h2,5-6,10,15H,3-4,7H2,1H3
InChIKeyQFTKHXMVMXFCRT-UHFFFAOYSA-N
XLogP3.06
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137390
N-[[5-(5-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 82890496
N-[[5-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62137768
N-[[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62138139
5-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-1H-pyridin-4-one
CID 136812719
N-[3-[5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 115370031
N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62661640
N-[[5-(4-bromo-2-methylphenyl)thiophen-3-yl]methyl]cyclopropanamine
CID 84605204
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride
CID 17056388
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 55021274
N-[[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 65152251
N-[[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 63189771

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(4-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 62138702) is N-[[5-(4-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(4-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(4-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is Cc1cc(Br)ccc1-c1nnc(CNC2CC2)o1.
What is the InChIKey of N-[[5-(4-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is QFTKHXMVMXFCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-8-6-9(14)2-5-11(8)13-17-16-12(18-13)7-15-10-3-4-10/h2,5-6,10,15H,3-4,7H2,1H3.
What are the key properties of N-[[5-(4-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(4-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 308.18 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62138702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).