3-[4-(2-phenylimidazol-1-yl)-2H-pyrimidin-1-yl]-1,2-oxazole

C16H13N5O — CID 141188433

IUPAC3-[4-(2-phenylimidazol-1-yl)-2H-pyrimidin-1-yl]-1,2-oxazole
SMILESC1=CN(c2ccon2)CN=C1n1ccnc1-c1ccccc1
InChIInChI=1S/C16H13N5O/c1-2-4-13(5-3-1)16-17-8-10-21(16)14-6-9-20(12-18-14)15-7-11-22-19-15/h1-11H,12H2
InChIKeyCHNAVVGGVIYMFV-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.78
Rot. Bonds2

About 3-[4-(2-phenylimidazol-1-yl)-2H-pyrimidin-1-yl]-1,2-oxazole

3-[4-(2-phenylimidazol-1-yl)-2H-pyrimidin-1-yl]-1,2-oxazole (PubChem CID 141188433) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-[4-(2-phenylimidazol-1-yl)-2H-pyrimidin-1-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[4-(2-phenylimidazol-1-yl)-2H-pyrimidin-1-yl]-1,2-oxazole
PubChem CID141188433
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name3-[4-(2-phenylimidazol-1-yl)-2H-pyrimidin-1-yl]-1,2-oxazole
SMILESC1=CN(c2ccon2)CN=C1n1ccnc1-c1ccccc1
InChIInChI=1S/C16H13N5O/c1-2-4-13(5-3-1)16-17-8-10-21(16)14-6-9-20(12-18-14)15-7-11-22-19-15/h1-11H,12H2
InChIKeyCHNAVVGGVIYMFV-UHFFFAOYSA-N
XLogP2.78
TPSA59.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-phenylimidazol-1-yl)-2H-pyrimidin-1-yl]-1,2-oxazole?
The IUPAC name of 3-[4-(2-phenylimidazol-1-yl)-2H-pyrimidin-1-yl]-1,2-oxazole (CID 141188433) is 3-[4-(2-phenylimidazol-1-yl)-2H-pyrimidin-1-yl]-1,2-oxazole.
What is the SMILES notation for 3-[4-(2-phenylimidazol-1-yl)-2H-pyrimidin-1-yl]-1,2-oxazole?
The canonical SMILES for 3-[4-(2-phenylimidazol-1-yl)-2H-pyrimidin-1-yl]-1,2-oxazole is C1=CN(c2ccon2)CN=C1n1ccnc1-c1ccccc1.
What is the InChIKey of 3-[4-(2-phenylimidazol-1-yl)-2H-pyrimidin-1-yl]-1,2-oxazole?
The InChIKey is CHNAVVGGVIYMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-2-4-13(5-3-1)16-17-8-10-21(16)14-6-9-20(12-18-14)15-7-11-22-19-15/h1-11H,12H2.
What are the key properties of 3-[4-(2-phenylimidazol-1-yl)-2H-pyrimidin-1-yl]-1,2-oxazole?
3-[4-(2-phenylimidazol-1-yl)-2H-pyrimidin-1-yl]-1,2-oxazole has a molecular weight of 291.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-phenylimidazol-1-yl)-2H-pyrimidin-1-yl]-1,2-oxazole is sourced from PubChem (CID 141188433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).