N-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine

C15H12BrN3O — CID 135015503

IUPACN-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine
SMILESBrc1cccc(-c2nnc(NCc3ccccc3)o2)c1
InChIInChI=1S/C15H12BrN3O/c16-13-8-4-7-12(9-13)14-18-19-15(20-14)17-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,17,19)
InChIKeyCXSMQLCYXHGJIA-UHFFFAOYSA-N
MW330.19 g/mol
LogP4.11
Rot. Bonds4

About N-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine

N-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 135015503) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is N-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID135015503
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC NameN-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine
SMILESBrc1cccc(-c2nnc(NCc3ccccc3)o2)c1
InChIInChI=1S/C15H12BrN3O/c16-13-8-4-7-12(9-13)14-18-19-15(20-14)17-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,17,19)
InChIKeyCXSMQLCYXHGJIA-UHFFFAOYSA-N
XLogP4.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine
CID 11299717
4-[[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]benzoic acid
CID 110456418
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide
CID 43976114
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide
CID 43976222
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 43976197
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 43976109
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 43976193
2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164297
CID 163815297
CID 163815297
N-[(4-methoxyphenyl)methyl]-5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 142725456
3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62138343
2-(3-bromophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole
CID 43913092

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine (CID 135015503) is N-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine is Brc1cccc(-c2nnc(NCc3ccccc3)o2)c1.
What is the InChIKey of N-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is CXSMQLCYXHGJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c16-13-8-4-7-12(9-13)14-18-19-15(20-14)17-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,17,19).
What are the key properties of N-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine?
N-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 330.19 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 135015503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).