N'-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylethanimidamide

C17H15BrN4O2 — CID 95045003

IUPACN'-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylethanimidamide
SMILESN/C(Cc1ccccc1)=N\OCc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C17H15BrN4O2/c18-14-8-4-7-13(10-14)17-21-20-16(24-17)11-23-22-15(19)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H2,19,22)
InChIKeyOAYJUORGHBIWBN-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.53
Rot. Bonds6

About N'-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylethanimidamide

N'-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylethanimidamide (PubChem CID 95045003) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is N'-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylethanimidamide.

Molecular Properties

Compound NameN'-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylethanimidamide
PubChem CID95045003
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC NameN'-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylethanimidamide
SMILESN/C(Cc1ccccc1)=N\OCc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C17H15BrN4O2/c18-14-8-4-7-13(10-14)17-21-20-16(24-17)11-23-22-15(19)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H2,19,22)
InChIKeyOAYJUORGHBIWBN-UHFFFAOYSA-N
XLogP3.53
TPSA86.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-bromobenzoate
CID 2642860
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxyimino]propanedinitrile
CID 155067987
N'-[(3-fluorophenyl)methoxy]-2-phenylethanimidamide
CID 47330986
N-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine
CID 135015503
2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164297
2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 18859382
N'-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylmethoxybenzenecarboximidamide
CID 56502457
CID 163815297
CID 163815297
N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide
CID 60548435
3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62138343
2-(3-bromophenyl)-5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3,4-oxadiazole
CID 52849087
(Z)-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine
CID 155293012

Frequently Asked Questions

What is the IUPAC name of N'-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylethanimidamide?
The IUPAC name of N'-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylethanimidamide (CID 95045003) is N'-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylethanimidamide.
What is the SMILES notation for N'-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylethanimidamide?
The canonical SMILES for N'-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylethanimidamide is N/C(Cc1ccccc1)=N\OCc1nnc(-c2cccc(Br)c2)o1.
What is the InChIKey of N'-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylethanimidamide?
The InChIKey is OAYJUORGHBIWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c18-14-8-4-7-13(10-14)17-21-20-16(24-17)11-23-22-15(19)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H2,19,22).
What are the key properties of N'-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylethanimidamide?
N'-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylethanimidamide has a molecular weight of 387.24 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylethanimidamide is sourced from PubChem (CID 95045003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).