4,5-dimethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

C15H15N3O2S — CID 62714966

IUPAC4,5-dimethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1sc(N)c(-c2nc(COc3ccccc3)no2)c1C
InChIInChI=1S/C15H15N3O2S/c1-9-10(2)21-14(16)13(9)15-17-12(18-20-15)8-19-11-6-4-3-5-7-11/h3-7H,8,16H2,1-2H3
InChIKeyBYQNWRBPZHAAHX-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.58
Rot. Bonds4

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

4,5-dimethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 62714966) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4,5-dimethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID62714966
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name4,5-dimethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1sc(N)c(-c2nc(COc3ccccc3)no2)c1C
InChIInChI=1S/C15H15N3O2S/c1-9-10(2)21-14(16)13(9)15-17-12(18-20-15)8-19-11-6-4-3-5-7-11/h3-7H,8,16H2,1-2H3
InChIKeyBYQNWRBPZHAAHX-UHFFFAOYSA-N
XLogP3.58
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 4,5-dimethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 62714966) is 4,5-dimethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 4,5-dimethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 4,5-dimethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Cc1sc(N)c(-c2nc(COc3ccccc3)no2)c1C.
What is the InChIKey of 4,5-dimethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is BYQNWRBPZHAAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9-10(2)21-14(16)13(9)15-17-12(18-20-15)8-19-11-6-4-3-5-7-11/h3-7H,8,16H2,1-2H3.
What are the key properties of 4,5-dimethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
4,5-dimethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 301.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 62714966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).