2-N-[(2-bromophenyl)methyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine

C10H11BrN4O — CID 103436798

IUPAC2-N-[(2-bromophenyl)methyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
SMILESCN(Cc1ccccc1Br)c1nnc(N)o1
InChIInChI=1S/C10H11BrN4O/c1-15(10-14-13-9(12)16-10)6-7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H2,12,13)
InChIKeyIKFILVRBMDHNMQ-UHFFFAOYSA-N
MW283.13 g/mol
LogP2.05
Rot. Bonds3

About 2-N-[(2-bromophenyl)methyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine

2-N-[(2-bromophenyl)methyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436798) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is 2-N-[(2-bromophenyl)methyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[(2-bromophenyl)methyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436798
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name2-N-[(2-bromophenyl)methyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
SMILESCN(Cc1ccccc1Br)c1nnc(N)o1
InChIInChI=1S/C10H11BrN4O/c1-15(10-14-13-9(12)16-10)6-7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H2,12,13)
InChIKeyIKFILVRBMDHNMQ-UHFFFAOYSA-N
XLogP2.05
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970746
N-[(2-bromophenyl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970749
2-N-[(2-bromophenyl)methyl]-2-N-methyl-1,3-benzoxazole-2,4-diamine
CID 79893264
4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 61358641
1-[(2-bromophenyl)methyl]-1-methylhydrazine;hydrochloride
CID 3028721
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
1-N-[(2-bromophenyl)methyl]-1-N,3-dimethylbenzene-1,2-diamine
CID 114041193
4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 107274766
2-N-[(2-bromophenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine
CID 113333707
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
3-N-[(2-bromophenyl)methyl]-3-N,5-dimethylbenzene-1,3-diamine
CID 112647329
2-[(2-bromophenyl)methyl-methylamino]benzenecarbothioamide
CID 61420434

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-bromophenyl)methyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-[(2-bromophenyl)methyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine (CID 103436798) is 2-N-[(2-bromophenyl)methyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-[(2-bromophenyl)methyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-[(2-bromophenyl)methyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine is CN(Cc1ccccc1Br)c1nnc(N)o1.
What is the InChIKey of 2-N-[(2-bromophenyl)methyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is IKFILVRBMDHNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-15(10-14-13-9(12)16-10)6-7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H2,12,13).
What are the key properties of 2-N-[(2-bromophenyl)methyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine?
2-N-[(2-bromophenyl)methyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 283.13 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-bromophenyl)methyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).