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

C12H16N2OS — CID 65181747

IUPACN-ethyl-1-[5-(5-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNC(C)c1ncc(-c2ccc(C)s2)o1
InChIInChI=1S/C12H16N2OS/c1-4-13-9(3)12-14-7-10(15-12)11-6-5-8(2)16-11/h5-7,9,13H,4H2,1-3H3
InChIKeyAPECEXKFTMVCRZ-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.38
Rot. Bonds4

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

N-ethyl-1-[5-(5-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65181747) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-ethyl-1-[5-(5-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(5-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65181747
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-ethyl-1-[5-(5-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNC(C)c1ncc(-c2ccc(C)s2)o1
InChIInChI=1S/C12H16N2OS/c1-4-13-9(3)12-14-7-10(15-12)11-6-5-8(2)16-11/h5-7,9,13H,4H2,1-3H3
InChIKeyAPECEXKFTMVCRZ-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(5-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(5-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethanamine (CID 65181747) is N-ethyl-1-[5-(5-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(5-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(5-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethanamine is CCNC(C)c1ncc(-c2ccc(C)s2)o1.
What is the InChIKey of N-ethyl-1-[5-(5-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is APECEXKFTMVCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-4-13-9(3)12-14-7-10(15-12)11-6-5-8(2)16-11/h5-7,9,13H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[5-(5-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethanamine?
N-ethyl-1-[5-(5-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 236.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(5-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65181747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).