5-pyrimidin-4-yl-1,3-oxazole

C7H5N3O — CID 68508514

IUPAC5-pyrimidin-4-yl-1,3-oxazole
SMILESc1cc(-c2cnco2)ncn1
InChIInChI=1S/C7H5N3O/c1-2-8-4-10-6(1)7-3-9-5-11-7/h1-5H
InChIKeyPBXXVCXEUBENAT-UHFFFAOYSA-N
MW147.14 g/mol
LogP1.13
Rot. Bonds1

About 5-pyrimidin-4-yl-1,3-oxazole

5-pyrimidin-4-yl-1,3-oxazole (PubChem CID 68508514) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 5-pyrimidin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name5-pyrimidin-4-yl-1,3-oxazole
PubChem CID68508514
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name5-pyrimidin-4-yl-1,3-oxazole
SMILESc1cc(-c2cnco2)ncn1
InChIInChI=1S/C7H5N3O/c1-2-8-4-10-6(1)7-3-9-5-11-7/h1-5H
InChIKeyPBXXVCXEUBENAT-UHFFFAOYSA-N
XLogP1.13
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyrimidin-4-yl-1,3-oxazole?
The IUPAC name of 5-pyrimidin-4-yl-1,3-oxazole (CID 68508514) is 5-pyrimidin-4-yl-1,3-oxazole.
What is the SMILES notation for 5-pyrimidin-4-yl-1,3-oxazole?
The canonical SMILES for 5-pyrimidin-4-yl-1,3-oxazole is c1cc(-c2cnco2)ncn1.
What is the InChIKey of 5-pyrimidin-4-yl-1,3-oxazole?
The InChIKey is PBXXVCXEUBENAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c1-2-8-4-10-6(1)7-3-9-5-11-7/h1-5H.
What are the key properties of 5-pyrimidin-4-yl-1,3-oxazole?
5-pyrimidin-4-yl-1,3-oxazole has a molecular weight of 147.14 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrimidin-4-yl-1,3-oxazole is sourced from PubChem (CID 68508514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).