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

C14H14N4O — CID 135386458

IUPAC3-[(2-ethylimidazol-1-yl)methyl]-5-pyridin-2-yl-1,2-oxazole
SMILESCCc1nccn1Cc1cc(-c2ccccn2)on1
InChIInChI=1S/C14H14N4O/c1-2-14-16-7-8-18(14)10-11-9-13(19-17-11)12-5-3-4-6-15-12/h3-9H,2,10H2,1H3
InChIKeyOLCWLQJBLXHIGW-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.54
Rot. Bonds4

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

3-[(2-ethylimidazol-1-yl)methyl]-5-pyridin-2-yl-1,2-oxazole (PubChem CID 135386458) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[(2-ethylimidazol-1-yl)methyl]-5-pyridin-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-[(2-ethylimidazol-1-yl)methyl]-5-pyridin-2-yl-1,2-oxazole
PubChem CID135386458
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-[(2-ethylimidazol-1-yl)methyl]-5-pyridin-2-yl-1,2-oxazole
SMILESCCc1nccn1Cc1cc(-c2ccccn2)on1
InChIInChI=1S/C14H14N4O/c1-2-14-16-7-8-18(14)10-11-9-13(19-17-11)12-5-3-4-6-15-12/h3-9H,2,10H2,1H3
InChIKeyOLCWLQJBLXHIGW-UHFFFAOYSA-N
XLogP2.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylimidazol-1-yl)methyl]-5-pyridin-2-yl-1,2-oxazole?
The IUPAC name of 3-[(2-ethylimidazol-1-yl)methyl]-5-pyridin-2-yl-1,2-oxazole (CID 135386458) is 3-[(2-ethylimidazol-1-yl)methyl]-5-pyridin-2-yl-1,2-oxazole.
What is the SMILES notation for 3-[(2-ethylimidazol-1-yl)methyl]-5-pyridin-2-yl-1,2-oxazole?
The canonical SMILES for 3-[(2-ethylimidazol-1-yl)methyl]-5-pyridin-2-yl-1,2-oxazole is CCc1nccn1Cc1cc(-c2ccccn2)on1.
What is the InChIKey of 3-[(2-ethylimidazol-1-yl)methyl]-5-pyridin-2-yl-1,2-oxazole?
The InChIKey is OLCWLQJBLXHIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-14-16-7-8-18(14)10-11-9-13(19-17-11)12-5-3-4-6-15-12/h3-9H,2,10H2,1H3.
What are the key properties of 3-[(2-ethylimidazol-1-yl)methyl]-5-pyridin-2-yl-1,2-oxazole?
3-[(2-ethylimidazol-1-yl)methyl]-5-pyridin-2-yl-1,2-oxazole has a molecular weight of 254.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylimidazol-1-yl)methyl]-5-pyridin-2-yl-1,2-oxazole is sourced from PubChem (CID 135386458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).