(Z)-1-(2-methylphenyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]methanimine

C15H13N3O2S — CID 9354567

IUPAC(Z)-1-(2-methylphenyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]methanimine
SMILESCc1ccccc1/C=N\OCc1nc(-c2ccsc2)no1
InChIInChI=1S/C15H13N3O2S/c1-11-4-2-3-5-12(11)8-16-19-9-14-17-15(18-20-14)13-6-7-21-10-13/h2-8,10H,9H2,1H3/b16-8-
InChIKeyMJLRRRBWUSUUAR-PXNMLYILSA-N
MW299.36 g/mol
LogP3.66
Rot. Bonds5

About (Z)-1-(2-methylphenyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]methanimine

(Z)-1-(2-methylphenyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]methanimine (PubChem CID 9354567) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is (Z)-1-(2-methylphenyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]methanimine.

Molecular Properties

Compound Name(Z)-1-(2-methylphenyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]methanimine
PubChem CID9354567
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name(Z)-1-(2-methylphenyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]methanimine
SMILESCc1ccccc1/C=N\OCc1nc(-c2ccsc2)no1
InChIInChI=1S/C15H13N3O2S/c1-11-4-2-3-5-12(11)8-16-19-9-14-17-15(18-20-14)13-6-7-21-10-13/h2-8,10H,9H2,1H3/b16-8-
InChIKeyMJLRRRBWUSUUAR-PXNMLYILSA-N
XLogP3.66
TPSA60.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-1-(2-methylphenyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]methanimine 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

(Z)-1-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
CID 9354617
(Z)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(4-propan-2-ylphenyl)methanimine
CID 7702638
5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 43627759
2-(2-methylphenyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 8889827
4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 54908982
4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 32758594
2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43214779
(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
CID 7703084
1-phenyl-2-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43627790
(E)-N-ethoxy-1-(2-methylphenyl)methanimine
CID 88956534
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 47429780
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine
CID 51252522

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-methylphenyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]methanimine?
The IUPAC name of (Z)-1-(2-methylphenyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]methanimine (CID 9354567) is (Z)-1-(2-methylphenyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]methanimine.
What is the SMILES notation for (Z)-1-(2-methylphenyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]methanimine?
The canonical SMILES for (Z)-1-(2-methylphenyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]methanimine is Cc1ccccc1/C=N\OCc1nc(-c2ccsc2)no1.
What is the InChIKey of (Z)-1-(2-methylphenyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]methanimine?
The InChIKey is MJLRRRBWUSUUAR-PXNMLYILSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-11-4-2-3-5-12(11)8-16-19-9-14-17-15(18-20-14)13-6-7-21-10-13/h2-8,10H,9H2,1H3/b16-8-.
What are the key properties of (Z)-1-(2-methylphenyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]methanimine?
(Z)-1-(2-methylphenyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]methanimine has a molecular weight of 299.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-methylphenyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]methanimine is sourced from PubChem (CID 9354567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).