4-(4-imidazol-1-ylpyrimidin-2-yl)-3,5-dimethyl-1,2-oxazole

C12H11N5O — CID 3234277

IUPAC4-(4-imidazol-1-ylpyrimidin-2-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1nccc(-n2ccnc2)n1
InChIInChI=1S/C12H11N5O/c1-8-11(9(2)18-16-8)12-14-4-3-10(15-12)17-6-5-13-7-17/h3-7H,1-2H3
InChIKeyRNCSYPXFSWREED-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.93
Rot. Bonds2

About 4-(4-imidazol-1-ylpyrimidin-2-yl)-3,5-dimethyl-1,2-oxazole

4-(4-imidazol-1-ylpyrimidin-2-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 3234277) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-(4-imidazol-1-ylpyrimidin-2-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(4-imidazol-1-ylpyrimidin-2-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID3234277
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name4-(4-imidazol-1-ylpyrimidin-2-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1nccc(-n2ccnc2)n1
InChIInChI=1S/C12H11N5O/c1-8-11(9(2)18-16-8)12-14-4-3-10(15-12)17-6-5-13-7-17/h3-7H,1-2H3
InChIKeyRNCSYPXFSWREED-UHFFFAOYSA-N
XLogP1.93
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazol-1-ylpyrimidin-2-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(4-imidazol-1-ylpyrimidin-2-yl)-3,5-dimethyl-1,2-oxazole (CID 3234277) is 4-(4-imidazol-1-ylpyrimidin-2-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(4-imidazol-1-ylpyrimidin-2-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(4-imidazol-1-ylpyrimidin-2-yl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1nccc(-n2ccnc2)n1.
What is the InChIKey of 4-(4-imidazol-1-ylpyrimidin-2-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is RNCSYPXFSWREED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-8-11(9(2)18-16-8)12-14-4-3-10(15-12)17-6-5-13-7-17/h3-7H,1-2H3.
What are the key properties of 4-(4-imidazol-1-ylpyrimidin-2-yl)-3,5-dimethyl-1,2-oxazole?
4-(4-imidazol-1-ylpyrimidin-2-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 241.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazol-1-ylpyrimidin-2-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 3234277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).