N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine

C12H16N2OS — CID 106369709

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1cnc(CNC(C)c2sccc2C)o1
InChIInChI=1S/C12H16N2OS/c1-8-4-5-16-12(8)10(3)13-7-11-14-6-9(2)15-11/h4-6,10,13H,7H2,1-3H3
InChIKeyWHUJXTKXPABQKX-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.20
Rot. Bonds4

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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 106369709) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID106369709
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1cnc(CNC(C)c2sccc2C)o1
InChIInChI=1S/C12H16N2OS/c1-8-4-5-16-12(8)10(3)13-7-11-14-6-9(2)15-11/h4-6,10,13H,7H2,1-3H3
InChIKeyWHUJXTKXPABQKX-UHFFFAOYSA-N
XLogP3.20
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 113428992
1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578495
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 114182327
N-[(3-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 63992103
5-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzene-1,3-diol
CID 106370039
N-[(4-methyl-3-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 114955136
(1S)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 97353561
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 103917075
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 113350582
N-(furan-3-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115711445
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 103912999
1-(2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913115

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine (CID 106369709) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine is Cc1cnc(CNC(C)c2sccc2C)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is WHUJXTKXPABQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8-4-5-16-12(8)10(3)13-7-11-14-6-9(2)15-11/h4-6,10,13H,7H2,1-3H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 236.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 106369709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).