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

C10H12N2OS — CID 65240209

IUPACN-methyl-1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanamine
SMILESCNCc1cnoc1-c1ccc(C)s1
InChIInChI=1S/C10H12N2OS/c1-7-3-4-9(14-7)10-8(5-11-2)6-12-13-10/h3-4,6,11H,5H2,1-2H3
InChIKeyATJMRDDLOCWZJK-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.43
Rot. Bonds3

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

N-methyl-1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanamine (PubChem CID 65240209) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is N-methyl-1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanamine
PubChem CID65240209
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC NameN-methyl-1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanamine
SMILESCNCc1cnoc1-c1ccc(C)s1
InChIInChI=1S/C10H12N2OS/c1-7-3-4-9(14-7)10-8(5-11-2)6-12-13-10/h3-4,6,11H,5H2,1-2H3
InChIKeyATJMRDDLOCWZJK-UHFFFAOYSA-N
XLogP2.43
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanamine (CID 65240209) is N-methyl-1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanamine is CNCc1cnoc1-c1ccc(C)s1.
What is the InChIKey of N-methyl-1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanamine?
The InChIKey is ATJMRDDLOCWZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-7-3-4-9(14-7)10-8(5-11-2)6-12-13-10/h3-4,6,11H,5H2,1-2H3.
What are the key properties of N-methyl-1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanamine?
N-methyl-1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanamine has a molecular weight of 208.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 65240209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).