(NZ)-N-[1-(4-chlorophenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylidene]hydroxylamine

C17H14ClN3O3S — CID 155813484

IUPAC(NZ)-N-[1-(4-chlorophenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylidene]hydroxylamine
SMILESCOc1ccc(-c2nnc(SC/C(=N\O)c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C17H14ClN3O3S/c1-23-14-8-4-12(5-9-14)16-19-20-17(24-16)25-10-15(21-22)11-2-6-13(18)7-3-11/h2-9,22H,10H2,1H3/b21-15+
InChIKeyVUUQJEPWZDSPON-RCCKNPSSSA-N
MW375.84 g/mol
LogP4.37
Rot. Bonds6

About (NZ)-N-[1-(4-chlorophenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylidene]hydroxylamine

(NZ)-N-[1-(4-chlorophenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylidene]hydroxylamine (PubChem CID 155813484) has the molecular formula C17H14ClN3O3S and a molecular weight of 375.84 g/mol. Its IUPAC name is (NZ)-N-[1-(4-chlorophenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(4-chlorophenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylidene]hydroxylamine
PubChem CID155813484
Molecular FormulaC17H14ClN3O3S
Molecular Weight375.84 g/mol
Exact Mass375.04
IUPAC Name(NZ)-N-[1-(4-chlorophenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylidene]hydroxylamine
SMILESCOc1ccc(-c2nnc(SC/C(=N\O)c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C17H14ClN3O3S/c1-23-14-8-4-12(5-9-14)16-19-20-17(24-16)25-10-15(21-22)11-2-6-13(18)7-3-11/h2-9,22H,10H2,1H3/b21-15+
InChIKeyVUUQJEPWZDSPON-RCCKNPSSSA-N
XLogP4.37
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[2-[[5-[2-(4-chlorophenyl)-6-methoxyquinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethylidene]hydroxylamine
CID 155807533
2-(4-chlorophenyl)-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 27920170
2-[(4-chlorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 855861
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 4313387
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-fluorophenyl)-(4-methoxyphenyl)methyl]acetamide
CID 60582141
2-[(3-chlorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 7241917
3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 3298737
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 26116935
N-[(3-chlorophenyl)methyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7240897
N-[1-(2,4-dichlorophenyl)ethyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 55581358
propyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 2281095
(4-methoxy-2-nitrophenyl) 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 55340789

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(4-chlorophenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(4-chlorophenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylidene]hydroxylamine (CID 155813484) is (NZ)-N-[1-(4-chlorophenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(4-chlorophenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(4-chlorophenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylidene]hydroxylamine is COc1ccc(-c2nnc(SC/C(=N\O)c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of (NZ)-N-[1-(4-chlorophenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylidene]hydroxylamine?
The InChIKey is VUUQJEPWZDSPON-RCCKNPSSSA-N. The full InChI is InChI=1S/C17H14ClN3O3S/c1-23-14-8-4-12(5-9-14)16-19-20-17(24-16)25-10-15(21-22)11-2-6-13(18)7-3-11/h2-9,22H,10H2,1H3/b21-15+.
What are the key properties of (NZ)-N-[1-(4-chlorophenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylidene]hydroxylamine?
(NZ)-N-[1-(4-chlorophenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylidene]hydroxylamine has a molecular weight of 375.84 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(4-chlorophenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylidene]hydroxylamine is sourced from PubChem (CID 155813484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).