4-pyrimidin-4-yl-4,5-dihydro-1,2-oxazole

C7H7N3O — CID 89204080

IUPAC4-pyrimidin-4-yl-4,5-dihydro-1,2-oxazole
SMILESC1=NOCC1c1ccncn1
InChIInChI=1S/C7H7N3O/c1-2-8-5-9-7(1)6-3-10-11-4-6/h1-3,5-6H,4H2
InChIKeyDSIMRLZTOGGZOO-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.58
Rot. Bonds1

About 4-pyrimidin-4-yl-4,5-dihydro-1,2-oxazole

4-pyrimidin-4-yl-4,5-dihydro-1,2-oxazole (PubChem CID 89204080) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 4-pyrimidin-4-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name4-pyrimidin-4-yl-4,5-dihydro-1,2-oxazole
PubChem CID89204080
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name4-pyrimidin-4-yl-4,5-dihydro-1,2-oxazole
SMILESC1=NOCC1c1ccncn1
InChIInChI=1S/C7H7N3O/c1-2-8-5-9-7(1)6-3-10-11-4-6/h1-3,5-6H,4H2
InChIKeyDSIMRLZTOGGZOO-UHFFFAOYSA-N
XLogP0.58
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-4-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 4-pyrimidin-4-yl-4,5-dihydro-1,2-oxazole (CID 89204080) is 4-pyrimidin-4-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 4-pyrimidin-4-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 4-pyrimidin-4-yl-4,5-dihydro-1,2-oxazole is C1=NOCC1c1ccncn1.
What is the InChIKey of 4-pyrimidin-4-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is DSIMRLZTOGGZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-2-8-5-9-7(1)6-3-10-11-4-6/h1-3,5-6H,4H2.
What are the key properties of 4-pyrimidin-4-yl-4,5-dihydro-1,2-oxazole?
4-pyrimidin-4-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 149.15 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-4-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 89204080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).