(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-fluorobenzoate

C15H11FN2O4 — CID 20946559

IUPAC(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-fluorobenzoate
SMILESCc1cc2nc(COC(=O)c3ccc(F)cc3)cc(=O)n2o1
InChIInChI=1S/C15H11FN2O4/c1-9-6-13-17-12(7-14(19)18(13)22-9)8-21-15(20)10-2-4-11(16)5-3-10/h2-7H,8H2,1H3
InChIKeyCOFNDSGMQUVUOV-UHFFFAOYSA-N
MW302.26 g/mol
LogP2.09
Rot. Bonds3

About (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-fluorobenzoate

(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-fluorobenzoate (PubChem CID 20946559) has the molecular formula C15H11FN2O4 and a molecular weight of 302.26 g/mol. Its IUPAC name is (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-fluorobenzoate.

Molecular Properties

Compound Name(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-fluorobenzoate
PubChem CID20946559
Molecular FormulaC15H11FN2O4
Molecular Weight302.26 g/mol
Exact Mass302.07
IUPAC Name(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-fluorobenzoate
SMILESCc1cc2nc(COC(=O)c3ccc(F)cc3)cc(=O)n2o1
InChIInChI=1S/C15H11FN2O4/c1-9-6-13-17-12(7-14(19)18(13)22-9)8-21-15(20)10-2-4-11(16)5-3-10/h2-7H,8H2,1H3
InChIKeyCOFNDSGMQUVUOV-UHFFFAOYSA-N
XLogP2.09
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-fluorobenzoate?
The IUPAC name of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-fluorobenzoate (CID 20946559) is (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-fluorobenzoate.
What is the SMILES notation for (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-fluorobenzoate?
The canonical SMILES for (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-fluorobenzoate is Cc1cc2nc(COC(=O)c3ccc(F)cc3)cc(=O)n2o1.
What is the InChIKey of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-fluorobenzoate?
The InChIKey is COFNDSGMQUVUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O4/c1-9-6-13-17-12(7-14(19)18(13)22-9)8-21-15(20)10-2-4-11(16)5-3-10/h2-7H,8H2,1H3.
What are the key properties of (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-fluorobenzoate?
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-fluorobenzoate has a molecular weight of 302.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-fluorobenzoate is sourced from PubChem (CID 20946559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).