4-[(2-ethylimidazol-1-yl)methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole

C17H19N3OS — CID 56752749

IUPAC4-[(2-ethylimidazol-1-yl)methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole
SMILESCCc1nccn1Cc1nc(-c2ccc(SC)cc2)oc1C
InChIInChI=1S/C17H19N3OS/c1-4-16-18-9-10-20(16)11-15-12(2)21-17(19-15)13-5-7-14(22-3)8-6-13/h5-10H,4,11H2,1-3H3
InChIKeyJISDDMMTMMWWPV-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.18
Rot. Bonds5

About 4-[(2-ethylimidazol-1-yl)methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole

4-[(2-ethylimidazol-1-yl)methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole (PubChem CID 56752749) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-[(2-ethylimidazol-1-yl)methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(2-ethylimidazol-1-yl)methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole
PubChem CID56752749
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name4-[(2-ethylimidazol-1-yl)methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole
SMILESCCc1nccn1Cc1nc(-c2ccc(SC)cc2)oc1C
InChIInChI=1S/C17H19N3OS/c1-4-16-18-9-10-20(16)11-15-12(2)21-17(19-15)13-5-7-14(22-3)8-6-13/h5-10H,4,11H2,1-3H3
InChIKeyJISDDMMTMMWWPV-UHFFFAOYSA-N
XLogP4.18
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(2-ethylimidazol-1-yl)methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-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

5-methyl-2-(4-methylsulfanylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole
CID 56748791
5-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole
CID 56755977
(3R)-3-methyl-4-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 95560870
ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 142936013
5-methyl-4-[(2-methylsulfonylimidazol-1-yl)methyl]-2-phenyl-1,3-oxazole
CID 71981264
2-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-4-yl]ethanol
CID 56753323
5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-2-(4-methylsulfanylphenyl)-1,3-oxazole
CID 95221363
(3R)-1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 95468992
5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 56878040
N-cycloheptyl-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 20860191
3-[(2-ethylimidazol-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole
CID 53193142
N-methyl-2-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide
CID 56861117

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylimidazol-1-yl)methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole?
The IUPAC name of 4-[(2-ethylimidazol-1-yl)methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole (CID 56752749) is 4-[(2-ethylimidazol-1-yl)methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(2-ethylimidazol-1-yl)methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole?
The canonical SMILES for 4-[(2-ethylimidazol-1-yl)methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole is CCc1nccn1Cc1nc(-c2ccc(SC)cc2)oc1C.
What is the InChIKey of 4-[(2-ethylimidazol-1-yl)methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole?
The InChIKey is JISDDMMTMMWWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-4-16-18-9-10-20(16)11-15-12(2)21-17(19-15)13-5-7-14(22-3)8-6-13/h5-10H,4,11H2,1-3H3.
What are the key properties of 4-[(2-ethylimidazol-1-yl)methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole?
4-[(2-ethylimidazol-1-yl)methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole has a molecular weight of 313.43 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylimidazol-1-yl)methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole is sourced from PubChem (CID 56752749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).