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

C13H12N4O2S — CID 62794150

IUPAC4-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nc(COc2ccccc2)no1
InChIInChI=1S/C13H12N4O2S/c1-8-11(20-13(14)15-8)12-16-10(17-19-12)7-18-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,14,15)
InChIKeyFMBAXOAMRNFIMU-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.66
Rot. Bonds4

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

4-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 62794150) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
PubChem CID62794150
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name4-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nc(COc2ccccc2)no1
InChIInChI=1S/C13H12N4O2S/c1-8-11(20-13(14)15-8)12-16-10(17-19-12)7-18-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,14,15)
InChIKeyFMBAXOAMRNFIMU-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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine (CID 62794150) is 4-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1nc(COc2ccccc2)no1.
What is the InChIKey of 4-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is FMBAXOAMRNFIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-8-11(20-13(14)15-8)12-16-10(17-19-12)7-18-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,14,15).
What are the key properties of 4-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
4-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-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 4-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62794150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).