5-methyl-3-[(2-pyrimidin-5-ylimidazol-1-yl)methyl]-1,2-oxazole

C12H11N5O — CID 155910168

IUPAC5-methyl-3-[(2-pyrimidin-5-ylimidazol-1-yl)methyl]-1,2-oxazole
SMILESCc1cc(Cn2ccnc2-c2cncnc2)no1
InChIInChI=1S/C12H11N5O/c1-9-4-11(16-18-9)7-17-3-2-15-12(17)10-5-13-8-14-6-10/h2-6,8H,7H2,1H3
InChIKeyFWRXFSCFXRZOIW-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.68
Rot. Bonds3

About 5-methyl-3-[(2-pyrimidin-5-ylimidazol-1-yl)methyl]-1,2-oxazole

5-methyl-3-[(2-pyrimidin-5-ylimidazol-1-yl)methyl]-1,2-oxazole (PubChem CID 155910168) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-methyl-3-[(2-pyrimidin-5-ylimidazol-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[(2-pyrimidin-5-ylimidazol-1-yl)methyl]-1,2-oxazole
PubChem CID155910168
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name5-methyl-3-[(2-pyrimidin-5-ylimidazol-1-yl)methyl]-1,2-oxazole
SMILESCc1cc(Cn2ccnc2-c2cncnc2)no1
InChIInChI=1S/C12H11N5O/c1-9-4-11(16-18-9)7-17-3-2-15-12(17)10-5-13-8-14-6-10/h2-6,8H,7H2,1H3
InChIKeyFWRXFSCFXRZOIW-UHFFFAOYSA-N
XLogP1.68
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(2-pyrimidin-5-ylimidazol-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[(2-pyrimidin-5-ylimidazol-1-yl)methyl]-1,2-oxazole (CID 155910168) is 5-methyl-3-[(2-pyrimidin-5-ylimidazol-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[(2-pyrimidin-5-ylimidazol-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[(2-pyrimidin-5-ylimidazol-1-yl)methyl]-1,2-oxazole is Cc1cc(Cn2ccnc2-c2cncnc2)no1.
What is the InChIKey of 5-methyl-3-[(2-pyrimidin-5-ylimidazol-1-yl)methyl]-1,2-oxazole?
The InChIKey is FWRXFSCFXRZOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-9-4-11(16-18-9)7-17-3-2-15-12(17)10-5-13-8-14-6-10/h2-6,8H,7H2,1H3.
What are the key properties of 5-methyl-3-[(2-pyrimidin-5-ylimidazol-1-yl)methyl]-1,2-oxazole?
5-methyl-3-[(2-pyrimidin-5-ylimidazol-1-yl)methyl]-1,2-oxazole has a molecular weight of 241.25 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(2-pyrimidin-5-ylimidazol-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 155910168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).