1-[2-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine

C11H14N2OS — CID 65288956

IUPAC1-[2-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1coc(-c2cc(C)c(C)s2)n1
InChIInChI=1S/C11H14N2OS/c1-7-4-10(15-8(7)2)11-13-9(5-12-3)6-14-11/h4,6,12H,5H2,1-3H3
InChIKeyDAAQSVNMUJKPBG-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.74
Rot. Bonds3

About 1-[2-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine

1-[2-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine (PubChem CID 65288956) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-[2-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine
PubChem CID65288956
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name1-[2-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1coc(-c2cc(C)c(C)s2)n1
InChIInChI=1S/C11H14N2OS/c1-7-4-10(15-8(7)2)11-13-9(5-12-3)6-14-11/h4,6,12H,5H2,1-3H3
InChIKeyDAAQSVNMUJKPBG-UHFFFAOYSA-N
XLogP2.74
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine (CID 65288956) is 1-[2-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine is CNCc1coc(-c2cc(C)c(C)s2)n1.
What is the InChIKey of 1-[2-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The InChIKey is DAAQSVNMUJKPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-7-4-10(15-8(7)2)11-13-9(5-12-3)6-14-11/h4,6,12H,5H2,1-3H3.
What are the key properties of 1-[2-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine?
1-[2-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine has a molecular weight of 222.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 65288956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).