N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine

C16H14ClN3O3 — CID 10758928

IUPACN-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine
SMILESONCc1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C16H14ClN3O3/c17-13-5-3-12(4-6-13)16-19-15(20-23-16)10-22-14-7-1-11(2-8-14)9-18-21/h1-8,18,21H,9-10H2
InChIKeyICSTYCCMSFFJAX-UHFFFAOYSA-N
MW331.76 g/mol
LogP3.45
Rot. Bonds6

About N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine

N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine (PubChem CID 10758928) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine
PubChem CID10758928
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC NameN-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine
SMILESONCc1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C16H14ClN3O3/c17-13-5-3-12(4-6-13)16-19-15(20-23-16)10-22-14-7-1-11(2-8-14)9-18-21/h1-8,18,21H,9-10H2
InChIKeyICSTYCCMSFFJAX-UHFFFAOYSA-N
XLogP3.45
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 106484747
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
N-[(4-chlorophenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238051
N-[(4-chlorophenyl)methyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-methylacetamide
CID 50746918
5-(4-chlorophenyl)-3-[(4-methoxy-2-nitrophenoxy)methyl]-1,2,4-oxadiazole
CID 35499288
5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692252
methyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 38901917
3-[5-[4-[(4-chlorophenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11486592
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzonitrile
CID 36506760
3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 2259107
3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-1-amine
CID 115079419
3-[(3,5-dimethylphenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 78878775

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine (CID 10758928) is N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine is ONCc1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine?
The InChIKey is ICSTYCCMSFFJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c17-13-5-3-12(4-6-13)16-19-15(20-23-16)10-22-14-7-1-11(2-8-14)9-18-21/h1-8,18,21H,9-10H2.
What are the key properties of N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine?
N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine has a molecular weight of 331.76 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine is sourced from PubChem (CID 10758928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).