3-ethyl-5-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1,2-oxazole

C15H17N3O2S — CID 95399076

IUPAC3-ethyl-5-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1,2-oxazole
SMILESCCc1cc(-c2nccn2C[C@H](OC)c2cccs2)on1
InChIInChI=1S/C15H17N3O2S/c1-3-11-9-12(20-17-11)15-16-6-7-18(15)10-13(19-2)14-5-4-8-21-14/h4-9,13H,3,10H2,1-2H3/t13-/m0/s1
InChIKeyFRILQZHSABVAMH-ZDUSSCGKSA-N
MW303.39 g/mol
LogP3.55
Rot. Bonds6

About 3-ethyl-5-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1,2-oxazole

3-ethyl-5-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1,2-oxazole (PubChem CID 95399076) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-ethyl-5-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1,2-oxazole
PubChem CID95399076
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name3-ethyl-5-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1,2-oxazole
SMILESCCc1cc(-c2nccn2C[C@H](OC)c2cccs2)on1
InChIInChI=1S/C15H17N3O2S/c1-3-11-9-12(20-17-11)15-16-6-7-18(15)10-13(19-2)14-5-4-8-21-14/h4-9,13H,3,10H2,1-2H3/t13-/m0/s1
InChIKeyFRILQZHSABVAMH-ZDUSSCGKSA-N
XLogP3.55
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-5-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1,2-oxazole with MolForge

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Related Compounds

[5-[1-(2-methoxy-2-thiophen-2-ylethyl)imidazol-2-yl]furan-2-yl]methanol
CID 56866506
2-[1-[(2R)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1H-benzimidazole
CID 95555080
5-ethyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 115918016
3-ethyl-5-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]-1,2-oxazole
CID 138806913
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 115723278
(2S)-2-methoxy-2-thiophen-2-ylethanamine
CID 26722465
1,3-diethyl-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyrazole
CID 116621627
5-(1H-imidazol-2-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)-4-phenylimidazole
CID 50978509
5-methyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 115917888
N-propyl-1-(2-thiophen-2-ylimidazol-1-yl)butan-2-amine
CID 62041227
(2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 95276861
1-(1-methylimidazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 61014093

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1,2-oxazole?
The IUPAC name of 3-ethyl-5-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1,2-oxazole (CID 95399076) is 3-ethyl-5-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1,2-oxazole is CCc1cc(-c2nccn2C[C@H](OC)c2cccs2)on1.
What is the InChIKey of 3-ethyl-5-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1,2-oxazole?
The InChIKey is FRILQZHSABVAMH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-3-11-9-12(20-17-11)15-16-6-7-18(15)10-13(19-2)14-5-4-8-21-14/h4-9,13H,3,10H2,1-2H3/t13-/m0/s1.
What are the key properties of 3-ethyl-5-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1,2-oxazole?
3-ethyl-5-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1,2-oxazole has a molecular weight of 303.39 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[1-[(2S)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 95399076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).