N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine

C14H15N3O2S — CID 71877466

IUPACN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cc(CN(C)Cc2ncc(-c3cccs3)o2)no1
InChIInChI=1S/C14H15N3O2S/c1-10-6-11(16-19-10)8-17(2)9-14-15-7-12(18-14)13-4-3-5-20-13/h3-7H,8-9H2,1-2H3
InChIKeyWKANRLJBBIFPLI-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.33
Rot. Bonds5

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

N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 71877466) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID71877466
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cc(CN(C)Cc2ncc(-c3cccs3)o2)no1
InChIInChI=1S/C14H15N3O2S/c1-10-6-11(16-19-10)8-17(2)9-14-15-7-12(18-14)13-4-3-5-20-13/h3-7H,8-9H2,1-2H3
InChIKeyWKANRLJBBIFPLI-UHFFFAOYSA-N
XLogP3.33
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine (CID 71877466) is N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine is Cc1cc(CN(C)Cc2ncc(-c3cccs3)o2)no1.
What is the InChIKey of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is WKANRLJBBIFPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-10-6-11(16-19-10)8-17(2)9-14-15-7-12(18-14)13-4-3-5-20-13/h3-7H,8-9H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine?
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 289.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 71877466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).