N-(4-bromo-2,6-dichlorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine

C12H11BrCl2N4O — CID 106966987

IUPACN-(4-bromo-2,6-dichlorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESClc1cc(Br)cc(Cl)c1Nc1nnc(CNC2CC2)o1
InChIInChI=1S/C12H11BrCl2N4O/c13-6-3-8(14)11(9(15)4-6)17-12-19-18-10(20-12)5-16-7-1-2-7/h3-4,7,16H,1-2,5H2,(H,17,19)
InChIKeyDHLZWMCGOUJULB-UHFFFAOYSA-N
MW378.06 g/mol
LogP4.13
Rot. Bonds5

About N-(4-bromo-2,6-dichlorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine

N-(4-bromo-2,6-dichlorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106966987) has the molecular formula C12H11BrCl2N4O and a molecular weight of 378.06 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichlorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichlorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106966987
Molecular FormulaC12H11BrCl2N4O
Molecular Weight378.06 g/mol
Exact Mass375.95
IUPAC NameN-(4-bromo-2,6-dichlorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESClc1cc(Br)cc(Cl)c1Nc1nnc(CNC2CC2)o1
InChIInChI=1S/C12H11BrCl2N4O/c13-6-3-8(14)11(9(15)4-6)17-12-19-18-10(20-12)5-16-7-1-2-7/h3-4,7,16H,1-2,5H2,(H,17,19)
InChIKeyDHLZWMCGOUJULB-UHFFFAOYSA-N
XLogP4.13
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.06
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2,6-dichlorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966991
N-(2-chloro-4-fluorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966927
N-(4-chloro-2-fluorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959963
N-(2-chloro-5-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969888
5-[(cyclopropylamino)methyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966723
5-[(cyclopropylamino)methyl]-N-(oxan-4-yl)-1,3,4-oxadiazol-2-amine
CID 106969378
N-[[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62138139
N-[1-(3-chlorophenyl)ethyl]-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971199
5-[(cyclopropylamino)methyl]-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967236
N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968561
2-[4-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]phenyl]ethanol
CID 106969770
N-(4-bromo-2,6-dimethylphenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966047

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106966987) is N-(4-bromo-2,6-dichlorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4-bromo-2,6-dichlorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4-bromo-2,6-dichlorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine is Clc1cc(Br)cc(Cl)c1Nc1nnc(CNC2CC2)o1.
What is the InChIKey of N-(4-bromo-2,6-dichlorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is DHLZWMCGOUJULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrCl2N4O/c13-6-3-8(14)11(9(15)4-6)17-12-19-18-10(20-12)5-16-7-1-2-7/h3-4,7,16H,1-2,5H2,(H,17,19).
What are the key properties of N-(4-bromo-2,6-dichlorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-(4-bromo-2,6-dichlorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 378.06 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dichlorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).