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

C10H10BrN3O — CID 118740621

IUPACN-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCc2ccc(Br)cc2)o1
InChIInChI=1S/C10H10BrN3O/c1-7-13-14-10(15-7)12-6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H,12,14)
InChIKeyYLCLTRWFDRKQCH-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.75
Rot. Bonds3

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

N-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 118740621) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
PubChem CID118740621
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC NameN-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCc2ccc(Br)cc2)o1
InChIInChI=1S/C10H10BrN3O/c1-7-13-14-10(15-7)12-6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H,12,14)
InChIKeyYLCLTRWFDRKQCH-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

5-tert-butyl-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 75446178
N-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 84596433
N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 118740620
N-[(4-bromo-2-fluorophenyl)methyl]-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine
CID 171803298
5-tert-butyl-N-(3-fluorobenzyl)-1,3,4-oxadiazol-2-amine
CID 72917356
N-[(4-fluorophenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 75445989
5-propan-2-yl-N-[(2,4,5-trifluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 75483600
N-[(3,5-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 75483602
N-[(2,6-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 75498245
5-propan-2-yl-N-[(3,4,5-trifluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 75498254
N-[(2,6-difluorophenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 75498277
N-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 84596432

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine (CID 118740621) is N-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine is Cc1nnc(NCc2ccc(Br)cc2)o1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is YLCLTRWFDRKQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-7-13-14-10(15-7)12-6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H,12,14).
What are the key properties of N-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
N-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-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-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 118740621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).