N-benzyl-5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-amine

C14H13N3O2S — CID 110456182

IUPACN-benzyl-5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccsc1-c1nnc(NCc2ccccc2)o1
InChIInChI=1S/C14H13N3O2S/c1-18-11-7-8-20-12(11)13-16-17-14(19-13)15-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,15,17)
InChIKeyADMHMTPLMGQLMQ-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.42
Rot. Bonds5

About N-benzyl-5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-amine

N-benzyl-5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 110456182) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-benzyl-5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID110456182
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-benzyl-5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccsc1-c1nnc(NCc2ccccc2)o1
InChIInChI=1S/C14H13N3O2S/c1-18-11-7-8-20-12(11)13-16-17-14(19-13)15-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,15,17)
InChIKeyADMHMTPLMGQLMQ-UHFFFAOYSA-N
XLogP3.42
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-benzyl-5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-benzyl-5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-amine (CID 110456182) is N-benzyl-5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-benzyl-5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-benzyl-5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-amine is COc1ccsc1-c1nnc(NCc2ccccc2)o1.
What is the InChIKey of N-benzyl-5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ADMHMTPLMGQLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-18-11-7-8-20-12(11)13-16-17-14(19-13)15-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,15,17).
What are the key properties of N-benzyl-5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-amine?
N-benzyl-5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 287.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 110456182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).