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

C11H14N2OS — CID 62091240

IUPACN-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCc1cc(CNC(C)c2ccsc2)on1
InChIInChI=1S/C11H14N2OS/c1-8-5-11(14-13-8)6-12-9(2)10-3-4-15-7-10/h3-5,7,9,12H,6H2,1-2H3
InChIKeyLIOZECOLOOLCGW-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.90
Rot. Bonds4

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

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylethanamine (PubChem CID 62091240) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylethanamine
PubChem CID62091240
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCc1cc(CNC(C)c2ccsc2)on1
InChIInChI=1S/C11H14N2OS/c1-8-5-11(14-13-8)6-12-9(2)10-3-4-15-7-10/h3-5,7,9,12H,6H2,1-2H3
InChIKeyLIOZECOLOOLCGW-UHFFFAOYSA-N
XLogP2.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine
CID 60713961
1-(4-ethylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60719398
N-[(5-methylfuran-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62523324
1-(3,4-difluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60713930
N-[(5-chlorofuran-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62840287
N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-3-ylethanamine
CID 106393064
1-(4-fluoro-3-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 82993682
3-[1-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamide
CID 60720836
1-(2,4-dichlorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60719338
1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60713894
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-naphthalen-1-ylethanamine
CID 60713955
N-[(4,5-dibromothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 102835571

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylethanamine (CID 62091240) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylethanamine is Cc1cc(CNC(C)c2ccsc2)on1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylethanamine?
The InChIKey is LIOZECOLOOLCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8-5-11(14-13-8)6-12-9(2)10-3-4-15-7-10/h3-5,7,9,12H,6H2,1-2H3.
What are the key properties of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylethanamine?
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylethanamine has a molecular weight of 222.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 62091240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).