N-[2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine

C14H17BrClN3O — CID 115565619

IUPACN-[2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1nc(-c2ccc(Cl)c(Br)c2)no1
InChIInChI=1S/C14H17BrClN3O/c1-14(2,3)17-7-6-12-18-13(19-20-12)9-4-5-11(16)10(15)8-9/h4-5,8,17H,6-7H2,1-3H3
InChIKeyINMWEGOVLFVRBX-UHFFFAOYSA-N
MW358.67 g/mol
LogP4.08
Rot. Bonds4

About N-[2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine

N-[2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine (PubChem CID 115565619) has the molecular formula C14H17BrClN3O and a molecular weight of 358.67 g/mol. Its IUPAC name is N-[2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
PubChem CID115565619
Molecular FormulaC14H17BrClN3O
Molecular Weight358.67 g/mol
Exact Mass357.02
IUPAC NameN-[2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1nc(-c2ccc(Cl)c(Br)c2)no1
InChIInChI=1S/C14H17BrClN3O/c1-14(2,3)17-7-6-12-18-13(19-20-12)9-4-5-11(16)10(15)8-9/h4-5,8,17H,6-7H2,1-3H3
InChIKeyINMWEGOVLFVRBX-UHFFFAOYSA-N
XLogP4.08
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.67
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115565498
4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 113337370
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
CID 60837895
N-[2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
CID 107280009
3-(3-bromo-4-chlorophenyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 115568404
1-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 115568616
2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 115565472
2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 82809468
N-[[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 106950694
3-(3-bromo-4-chlorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 113337349
3-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 115565665
N-[[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 55241131

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine (CID 115565619) is N-[2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCc1nc(-c2ccc(Cl)c(Br)c2)no1.
What is the InChIKey of N-[2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine?
The InChIKey is INMWEGOVLFVRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3O/c1-14(2,3)17-7-6-12-18-13(19-20-12)9-4-5-11(16)10(15)8-9/h4-5,8,17H,6-7H2,1-3H3.
What are the key properties of N-[2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine?
N-[2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine has a molecular weight of 358.67 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 115565619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).