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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-{[2-(5-Isopropyl-3-isoxazolyl)-1-pyrrolidinyl]carbonyl}imidazo[2,1-b][1,3]thiazole
CID 70732824
3-Methyl-5-[7-(1-methylimidazol-2-yl)sulfonylheptyl]-1,2-oxazole
CID 53697825
3-Methyl-5-[7-(1-methylimidazol-2-yl)sulfanylheptyl]-1,2-oxazole
CID 53830416
N-methyl-N-[3-(5-methyl-1,2-oxazol-3-yl)propyl]-1,3-thiazol-2-amine
CID 126510158
5-isobutyl-3-{[4-phenyl-5-(1,3-thiazol-2-yl)-1H-imidazol-1-yl]methyl}isoxazole
CID 50979465
4-chloro-5-{1-[(3-ethylisoxazol-5-yl)methyl]-1H-imidazol-2-yl}-N,N-dimethyl-1,3-thiazol-2-amine
CID 56872729
5-{[2-(4-isopropyl-1,3-thiazol-2-yl)-1H-imidazol-1-yl]methyl}-3-methylisoxazole
CID 56877195
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine
CID 61821925
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine
CID 61821929
2-{1-[(5-cyclopropylisoxazol-3-yl)methyl]-1H-imidazol-2-yl}-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 70736826
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-propyl-3-isoxazolecarboxamide
CID 70776640
N-[(3-ethyl-5-isoxazolyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70783173

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).