(NZ)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine

C16H15N3O5S — CID 137189891

IUPAC(NZ)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cc(/C(=N/O)c2nc(-c3cccs3)no2)cc(OC)c1OC
InChIInChI=1S/C16H15N3O5S/c1-21-10-7-9(8-11(22-2)14(10)23-3)13(18-20)16-17-15(19-24-16)12-5-4-6-25-12/h4-8,20H,1-3H3/b18-13-
InChIKeyQCCDXXIZFYKTHC-AQTBWJFISA-N
MW361.38 g/mol
LogP3.05
Rot. Bonds6

About (NZ)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine

(NZ)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine (PubChem CID 137189891) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is (NZ)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
PubChem CID137189891
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC Name(NZ)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cc(/C(=N/O)c2nc(-c3cccs3)no2)cc(OC)c1OC
InChIInChI=1S/C16H15N3O5S/c1-21-10-7-9(8-11(22-2)14(10)23-3)13(18-20)16-17-15(19-24-16)12-5-4-6-25-12/h4-8,20H,1-3H3/b18-13-
InChIKeyQCCDXXIZFYKTHC-AQTBWJFISA-N
XLogP3.05
TPSA99.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

5-[(Z)-1-chloro-2-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9037631
3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054
(NZ)-N-[(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
CID 53364194
(E)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile
CID 9212728
(E)-3-(3,4-dimethoxyphenyl)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)prop-2-enenitrile
CID 9212599
2-[4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]-2-methoxyphenoxy]acetonitrile
CID 9037579
5-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9037450
N-[2-[(2-methoxybenzoyl)amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 17083291
3-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenol
CID 9037543
(E)-3-(4-ethoxy-3-methoxyphenyl)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)prop-2-enenitrile
CID 9212650
3-methyl-6-thiophen-2-yl-N'-(3,4,5-trimethoxybenzoyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 46665933
N-[(5-chloro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 19589384

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine (CID 137189891) is (NZ)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine is COc1cc(/C(=N/O)c2nc(-c3cccs3)no2)cc(OC)c1OC.
What is the InChIKey of (NZ)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine?
The InChIKey is QCCDXXIZFYKTHC-AQTBWJFISA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-21-10-7-9(8-11(22-2)14(10)23-3)13(18-20)16-17-15(19-24-16)12-5-4-6-25-12/h4-8,20H,1-3H3/b18-13-.
What are the key properties of (NZ)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine?
(NZ)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine has a molecular weight of 361.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 137189891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).