5-(2-methoxy-4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-one

C14H11N3O3 — CID 175702355

IUPAC5-(2-methoxy-4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-one
SMILESCOc1cc(-c2ccncn2)ccc1-c1cc(=O)[nH]o1
InChIInChI=1S/C14H11N3O3/c1-19-12-6-9(11-4-5-15-8-16-11)2-3-10(12)13-7-14(18)17-20-13/h2-8H,1H3,(H,17,18)
InChIKeyFVNPZUKPKSGMLE-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.10
Rot. Bonds3

About 5-(2-methoxy-4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-one

5-(2-methoxy-4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-one (PubChem CID 175702355) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-(2-methoxy-4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-(2-methoxy-4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-one
PubChem CID175702355
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name5-(2-methoxy-4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-one
SMILESCOc1cc(-c2ccncn2)ccc1-c1cc(=O)[nH]o1
InChIInChI=1S/C14H11N3O3/c1-19-12-6-9(11-4-5-15-8-16-11)2-3-10(12)13-7-14(18)17-20-13/h2-8H,1H3,(H,17,18)
InChIKeyFVNPZUKPKSGMLE-UHFFFAOYSA-N
XLogP2.10
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-one?
The IUPAC name of 5-(2-methoxy-4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-one (CID 175702355) is 5-(2-methoxy-4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-one.
What is the SMILES notation for 5-(2-methoxy-4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-one?
The canonical SMILES for 5-(2-methoxy-4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-one is COc1cc(-c2ccncn2)ccc1-c1cc(=O)[nH]o1.
What is the InChIKey of 5-(2-methoxy-4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-one?
The InChIKey is FVNPZUKPKSGMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-19-12-6-9(11-4-5-15-8-16-11)2-3-10(12)13-7-14(18)17-20-13/h2-8H,1H3,(H,17,18).
What are the key properties of 5-(2-methoxy-4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-one?
5-(2-methoxy-4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-one has a molecular weight of 269.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-one is sourced from PubChem (CID 175702355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).