1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine

C17H21N3O2S — CID 56753211

IUPAC1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine
SMILESCCc1cc(CN(C)Cc2nc(-c3sccc3C)oc2C)on1
InChIInChI=1S/C17H21N3O2S/c1-5-13-8-14(22-19-13)9-20(4)10-15-12(3)21-17(18-15)16-11(2)6-7-23-16/h6-8H,5,9-10H2,1-4H3
InChIKeySXXXGCWFYPYSSI-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.20
Rot. Bonds6

About 1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine

1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine (PubChem CID 56753211) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine
PubChem CID56753211
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine
SMILESCCc1cc(CN(C)Cc2nc(-c3sccc3C)oc2C)on1
InChIInChI=1S/C17H21N3O2S/c1-5-13-8-14(22-19-13)9-20(4)10-15-12(3)21-17(18-15)16-11(2)6-7-23-16/h6-8H,5,9-10H2,1-4H3
InChIKeySXXXGCWFYPYSSI-UHFFFAOYSA-N
XLogP4.20
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine 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 1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine (CID 56753211) is 1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine is CCc1cc(CN(C)Cc2nc(-c3sccc3C)oc2C)on1.
What is the InChIKey of 1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine?
The InChIKey is SXXXGCWFYPYSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-5-13-8-14(22-19-13)9-20(4)10-15-12(3)21-17(18-15)16-11(2)6-7-23-16/h6-8H,5,9-10H2,1-4H3.
What are the key properties of 1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine?
1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine has a molecular weight of 331.44 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine is sourced from PubChem (CID 56753211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).