3-methyl-5-(4-phenylpyrimidin-5-yl)-1,2-oxazole

C14H11N3O — CID 101455365

IUPAC3-methyl-5-(4-phenylpyrimidin-5-yl)-1,2-oxazole
SMILESCc1cc(-c2cncnc2-c2ccccc2)on1
InChIInChI=1S/C14H11N3O/c1-10-7-13(18-17-10)12-8-15-9-16-14(12)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyDVQWSBJYDFCPAD-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.11
Rot. Bonds2

About 3-methyl-5-(4-phenylpyrimidin-5-yl)-1,2-oxazole

3-methyl-5-(4-phenylpyrimidin-5-yl)-1,2-oxazole (PubChem CID 101455365) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-methyl-5-(4-phenylpyrimidin-5-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(4-phenylpyrimidin-5-yl)-1,2-oxazole
PubChem CID101455365
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name3-methyl-5-(4-phenylpyrimidin-5-yl)-1,2-oxazole
SMILESCc1cc(-c2cncnc2-c2ccccc2)on1
InChIInChI=1S/C14H11N3O/c1-10-7-13(18-17-10)12-8-15-9-16-14(12)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyDVQWSBJYDFCPAD-UHFFFAOYSA-N
XLogP3.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-phenylpyrimidin-5-yl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(4-phenylpyrimidin-5-yl)-1,2-oxazole (CID 101455365) is 3-methyl-5-(4-phenylpyrimidin-5-yl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(4-phenylpyrimidin-5-yl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(4-phenylpyrimidin-5-yl)-1,2-oxazole is Cc1cc(-c2cncnc2-c2ccccc2)on1.
What is the InChIKey of 3-methyl-5-(4-phenylpyrimidin-5-yl)-1,2-oxazole?
The InChIKey is DVQWSBJYDFCPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-10-7-13(18-17-10)12-8-15-9-16-14(12)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 3-methyl-5-(4-phenylpyrimidin-5-yl)-1,2-oxazole?
3-methyl-5-(4-phenylpyrimidin-5-yl)-1,2-oxazole has a molecular weight of 237.26 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-phenylpyrimidin-5-yl)-1,2-oxazole is sourced from PubChem (CID 101455365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).