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

C11H15N3O — CID 63811626

IUPAC2-[(2-ethylimidazol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
SMILESCCc1nccn1Cc1nc(C)c(C)o1
InChIInChI=1S/C11H15N3O/c1-4-10-12-5-6-14(10)7-11-13-8(2)9(3)15-11/h5-6H,4,7H2,1-3H3
InChIKeyRTPSTYCVEXOZNA-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.10
Rot. Bonds3

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

2-[(2-ethylimidazol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 63811626) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[(2-ethylimidazol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(2-ethylimidazol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
PubChem CID63811626
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-[(2-ethylimidazol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
SMILESCCc1nccn1Cc1nc(C)c(C)o1
InChIInChI=1S/C11H15N3O/c1-4-10-12-5-6-14(10)7-11-13-8(2)9(3)15-11/h5-6H,4,7H2,1-3H3
InChIKeyRTPSTYCVEXOZNA-UHFFFAOYSA-N
XLogP2.10
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylimidazol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[(2-ethylimidazol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole (CID 63811626) is 2-[(2-ethylimidazol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[(2-ethylimidazol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[(2-ethylimidazol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole is CCc1nccn1Cc1nc(C)c(C)o1.
What is the InChIKey of 2-[(2-ethylimidazol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is RTPSTYCVEXOZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-4-10-12-5-6-14(10)7-11-13-8(2)9(3)15-11/h5-6H,4,7H2,1-3H3.
What are the key properties of 2-[(2-ethylimidazol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole?
2-[(2-ethylimidazol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 205.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylimidazol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 63811626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).