3-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine

C13H12N4O2S — CID 79391446

IUPAC3-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine
SMILESCc1nsc(N)c1-c1nc(COc2ccccc2)no1
InChIInChI=1S/C13H12N4O2S/c1-8-11(12(14)20-17-8)13-15-10(16-19-13)7-18-9-5-3-2-4-6-9/h2-6H,7,14H2,1H3
InChIKeyHDATXGWZXMTRDB-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.66
Rot. Bonds4

About 3-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine

3-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine (PubChem CID 79391446) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine
PubChem CID79391446
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name3-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine
SMILESCc1nsc(N)c1-c1nc(COc2ccccc2)no1
InChIInChI=1S/C13H12N4O2S/c1-8-11(12(14)20-17-8)13-15-10(16-19-13)7-18-9-5-3-2-4-6-9/h2-6H,7,14H2,1H3
InChIKeyHDATXGWZXMTRDB-UHFFFAOYSA-N
XLogP2.66
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine 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

4-[3-(4-Fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 107922500
3-[(2-Fluorophenoxy)methyl]-5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazole
CID 119050358
[3-(2-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 47013956
4,5-Dimethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 62714966
3-[3-(Phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 62716536
4-Methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 62794150
5-Ethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63614343
5-Methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63617036
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(3-methyl-1,2-thiazol-5-yl)benzamide
CID 75392115
4-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 79391661
4-[3-(Furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 79391770
4-[3-(2-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 79391982

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine (CID 79391446) is 3-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine is Cc1nsc(N)c1-c1nc(COc2ccccc2)no1.
What is the InChIKey of 3-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine?
The InChIKey is HDATXGWZXMTRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-8-11(12(14)20-17-8)13-15-10(16-19-13)7-18-9-5-3-2-4-6-9/h2-6H,7,14H2,1H3.
What are the key properties of 3-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine?
3-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine has a molecular weight of 288.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 79391446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).