3-[2-(1-ethylimidazol-4-yl)ethyl]-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole

C15H18N4OS — CID 155451303

IUPAC3-[2-(1-ethylimidazol-4-yl)ethyl]-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole
SMILESCCn1cnc(CCc2cc(CCc3nccs3)on2)c1
InChIInChI=1S/C15H18N4OS/c1-2-19-10-13(17-11-19)4-3-12-9-14(20-18-12)5-6-15-16-7-8-21-15/h7-11H,2-6H2,1H3
InChIKeyMLKQDRIVIDJPMT-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.92
Rot. Bonds7

About 3-[2-(1-ethylimidazol-4-yl)ethyl]-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole

3-[2-(1-ethylimidazol-4-yl)ethyl]-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole (PubChem CID 155451303) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-[2-(1-ethylimidazol-4-yl)ethyl]-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-(1-ethylimidazol-4-yl)ethyl]-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole
PubChem CID155451303
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name3-[2-(1-ethylimidazol-4-yl)ethyl]-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole
SMILESCCn1cnc(CCc2cc(CCc3nccs3)on2)c1
InChIInChI=1S/C15H18N4OS/c1-2-19-10-13(17-11-19)4-3-12-9-14(20-18-12)5-6-15-16-7-8-21-15/h7-11H,2-6H2,1H3
InChIKeyMLKQDRIVIDJPMT-UHFFFAOYSA-N
XLogP2.92
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-ethylimidazol-4-yl)ethyl]-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole?
The IUPAC name of 3-[2-(1-ethylimidazol-4-yl)ethyl]-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole (CID 155451303) is 3-[2-(1-ethylimidazol-4-yl)ethyl]-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole.
What is the SMILES notation for 3-[2-(1-ethylimidazol-4-yl)ethyl]-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole?
The canonical SMILES for 3-[2-(1-ethylimidazol-4-yl)ethyl]-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole is CCn1cnc(CCc2cc(CCc3nccs3)on2)c1.
What is the InChIKey of 3-[2-(1-ethylimidazol-4-yl)ethyl]-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole?
The InChIKey is MLKQDRIVIDJPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-2-19-10-13(17-11-19)4-3-12-9-14(20-18-12)5-6-15-16-7-8-21-15/h7-11H,2-6H2,1H3.
What are the key properties of 3-[2-(1-ethylimidazol-4-yl)ethyl]-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole?
3-[2-(1-ethylimidazol-4-yl)ethyl]-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole has a molecular weight of 302.40 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-ethylimidazol-4-yl)ethyl]-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole is sourced from PubChem (CID 155451303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).