(4-cyano-2-methoxyphenyl) 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoate

C18H15N3O4S — CID 38916718

IUPAC(4-cyano-2-methoxyphenyl) 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoate
SMILESCOc1cc(C#N)ccc1OC(=O)CCCc1nc(-c2cccs2)no1
InChIInChI=1S/C18H15N3O4S/c1-23-14-10-12(11-19)7-8-13(14)24-17(22)6-2-5-16-20-18(21-25-16)15-4-3-9-26-15/h3-4,7-10H,2,5-6H2,1H3
InChIKeyPDVPJKZSCQNZRL-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.61
Rot. Bonds7

About (4-cyano-2-methoxyphenyl) 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoate

(4-cyano-2-methoxyphenyl) 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoate (PubChem CID 38916718) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is (4-cyano-2-methoxyphenyl) 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoate.

Molecular Properties

Compound Name(4-cyano-2-methoxyphenyl) 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoate
PubChem CID38916718
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name(4-cyano-2-methoxyphenyl) 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoate
SMILESCOc1cc(C#N)ccc1OC(=O)CCCc1nc(-c2cccs2)no1
InChIInChI=1S/C18H15N3O4S/c1-23-14-10-12(11-19)7-8-13(14)24-17(22)6-2-5-16-20-18(21-25-16)15-4-3-9-26-15/h3-4,7-10H,2,5-6H2,1H3
InChIKeyPDVPJKZSCQNZRL-UHFFFAOYSA-N
XLogP3.61
TPSA98.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-cyano-2-methoxyphenyl) 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoate 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

N-(4,5-dimethoxy-2-methylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38910698
naphthalen-2-yl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoate
CID 38887988
N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51229421
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 46453947
3-cyano-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide
CID 9144170
(2S,3S)-3-methyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid
CID 119193820
4-methoxy-N-methyl-3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 87001861
3-methyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
CID 119169883
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134054629
(2-butan-2-ylphenyl) 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 55413612
3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
CID 31724259
4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 51096359

Frequently Asked Questions

What is the IUPAC name of (4-cyano-2-methoxyphenyl) 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoate?
The IUPAC name of (4-cyano-2-methoxyphenyl) 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoate (CID 38916718) is (4-cyano-2-methoxyphenyl) 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoate.
What is the SMILES notation for (4-cyano-2-methoxyphenyl) 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoate?
The canonical SMILES for (4-cyano-2-methoxyphenyl) 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoate is COc1cc(C#N)ccc1OC(=O)CCCc1nc(-c2cccs2)no1.
What is the InChIKey of (4-cyano-2-methoxyphenyl) 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoate?
The InChIKey is PDVPJKZSCQNZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-23-14-10-12(11-19)7-8-13(14)24-17(22)6-2-5-16-20-18(21-25-16)15-4-3-9-26-15/h3-4,7-10H,2,5-6H2,1H3.
What are the key properties of (4-cyano-2-methoxyphenyl) 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoate?
(4-cyano-2-methoxyphenyl) 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoate has a molecular weight of 369.40 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyano-2-methoxyphenyl) 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoate is sourced from PubChem (CID 38916718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).