N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylethanamine

C12H16N2OS — CID 115723278

IUPACN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCCc1cc(CNC(C)c2cccs2)on1
InChIInChI=1S/C12H16N2OS/c1-3-10-7-11(15-14-10)8-13-9(2)12-5-4-6-16-12/h4-7,9,13H,3,8H2,1-2H3
InChIKeyOVUOTBUKOBNIIK-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.15
Rot. Bonds5

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

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 115723278) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID115723278
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCCc1cc(CNC(C)c2cccs2)on1
InChIInChI=1S/C12H16N2OS/c1-3-10-7-11(15-14-10)8-13-9(2)12-5-4-6-16-12/h4-7,9,13H,3,8H2,1-2H3
InChIKeyOVUOTBUKOBNIIK-UHFFFAOYSA-N
XLogP3.15
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103257810
N-(1,2-oxazol-5-ylmethyl)-1-thiophen-2-ylethanamine
CID 103605426
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 43534521
N-[(4,5-dibromofuran-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 62084292
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 43183580
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399072
1,1-dicyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine
CID 115723277
(1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 102677243
(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 28833552
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine
CID 60696751
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylethanamine (CID 115723278) is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylethanamine is CCc1cc(CNC(C)c2cccs2)on1.
What is the InChIKey of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is OVUOTBUKOBNIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-10-7-11(15-14-10)8-13-9(2)12-5-4-6-16-12/h4-7,9,13H,3,8H2,1-2H3.
What are the key properties of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylethanamine?
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 236.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 115723278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).