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

C13H18N2OS — CID 114182327

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1cnc(C(C)NC(C)c2sccc2C)o1
InChIInChI=1S/C13H18N2OS/c1-8-5-6-17-12(8)10(3)15-11(4)13-14-7-9(2)16-13/h5-7,10-11,15H,1-4H3
InChIKeyKSWSHEVUBNHZNQ-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.76
Rot. Bonds4

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

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 114182327) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID114182327
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1cnc(C(C)NC(C)c2sccc2C)o1
InChIInChI=1S/C13H18N2OS/c1-8-5-6-17-12(8)10(3)15-11(4)13-14-7-9(2)16-13/h5-7,10-11,15H,1-4H3
InChIKeyKSWSHEVUBNHZNQ-UHFFFAOYSA-N
XLogP3.76
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
CID 114182320
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 103893462
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 112700535
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 106369709
1-(4-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
CID 114182346
1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
CID 103893469
1-(5-methyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 104579884
N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 63992990
2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]ethyl]benzene-1,4-diol
CID 106388008
1-(4-fluoro-3-methoxyphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
CID 103893791
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 103893640
2-(ethylaminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390208

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine (CID 114182327) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine is Cc1cnc(C(C)NC(C)c2sccc2C)o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is KSWSHEVUBNHZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-8-5-6-17-12(8)10(3)15-11(4)13-14-7-9(2)16-13/h5-7,10-11,15H,1-4H3.
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 250.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 114182327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).