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

C10H10BrN3O — CID 115777303

IUPACN-[(2-bromophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2ccccc2Br)n1
InChIInChI=1S/C10H10BrN3O/c1-7-13-10(15-14-7)12-6-8-4-2-3-5-9(8)11/h2-5H,6H2,1H3,(H,12,13,14)
InChIKeyWEHPSPAQZRDJJT-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.75
Rot. Bonds3

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

N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 115777303) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
PubChem CID115777303
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC NameN-[(2-bromophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2ccccc2Br)n1
InChIInChI=1S/C10H10BrN3O/c1-7-13-10(15-14-7)12-6-8-4-2-3-5-9(8)11/h2-5H,6H2,1H3,(H,12,13,14)
InChIKeyWEHPSPAQZRDJJT-UHFFFAOYSA-N
XLogP2.75
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 43678230
N-[(2,3-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115924870
N-[(3-chloro-2-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 91636185
3-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 130854750
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine
CID 106659990
3-methyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 115777298
N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268042
3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 106418985
4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol
CID 106659974
3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 106659595
N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine
CID 62049687
3-methyl-N-(2-methyl-2-phenylpropyl)-1,2,4-oxadiazol-5-amine
CID 103519965

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine (CID 115777303) is N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine is Cc1noc(NCc2ccccc2Br)n1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is WEHPSPAQZRDJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-7-13-10(15-14-7)12-6-8-4-2-3-5-9(8)11/h2-5H,6H2,1H3,(H,12,13,14).
What are the key properties of N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 268.11 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 115777303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).