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

C16H20BrN3O — CID 65243362

IUPAC1-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
SMILESCNC1(Cc2nc(-c3ccccc3Br)no2)CCCCC1
InChIInChI=1S/C16H20BrN3O/c1-18-16(9-5-2-6-10-16)11-14-19-15(20-21-14)12-7-3-4-8-13(12)17/h3-4,7-8,18H,2,5-6,9-11H2,1H3
InChIKeySWVYCOQDXGRLQG-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.96
Rot. Bonds4

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

1-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine (PubChem CID 65243362) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
PubChem CID65243362
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name1-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
SMILESCNC1(Cc2nc(-c3ccccc3Br)no2)CCCCC1
InChIInChI=1S/C16H20BrN3O/c1-18-16(9-5-2-6-10-16)11-14-19-15(20-21-14)12-7-3-4-8-13(12)17/h3-4,7-8,18H,2,5-6,9-11H2,1H3
InChIKeySWVYCOQDXGRLQG-UHFFFAOYSA-N
XLogP3.96
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 65243026
N-methyl-1-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 114877017
N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 65243169
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-methylethanamine
CID 63350689
4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63844567
1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 107925102
3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
CID 55202022
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63350773
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350731
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcycloheptan-1-amine
CID 63350862
1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846588
1-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 65243264

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 1-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine (CID 65243362) is 1-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine is CNC1(Cc2nc(-c3ccccc3Br)no2)CCCCC1.
What is the InChIKey of 1-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine?
The InChIKey is SWVYCOQDXGRLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-18-16(9-5-2-6-10-16)11-14-19-15(20-21-14)12-7-3-4-8-13(12)17/h3-4,7-8,18H,2,5-6,9-11H2,1H3.
What are the key properties of 1-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine?
1-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine has a molecular weight of 350.26 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 65243362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).