(6-fluoro-1,3-benzoxazol-2-yl)methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate

C15H11FN2O4 — CID 75516846

IUPAC(6-fluoro-1,3-benzoxazol-2-yl)methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate
SMILESCc1cc(C(=O)OCc2nc3ccc(F)cc3o2)cc(=O)[nH]1
InChIInChI=1S/C15H11FN2O4/c1-8-4-9(5-13(19)17-8)15(20)21-7-14-18-11-3-2-10(16)6-12(11)22-14/h2-6H,7H2,1H3,(H,17,19)
InChIKeyUPYZKCVXKQQDIO-UHFFFAOYSA-N
MW302.26 g/mol
LogP2.32
Rot. Bonds3

About (6-fluoro-1,3-benzoxazol-2-yl)methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate

(6-fluoro-1,3-benzoxazol-2-yl)methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate (PubChem CID 75516846) has the molecular formula C15H11FN2O4 and a molecular weight of 302.26 g/mol. Its IUPAC name is (6-fluoro-1,3-benzoxazol-2-yl)methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Name(6-fluoro-1,3-benzoxazol-2-yl)methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate
PubChem CID75516846
Molecular FormulaC15H11FN2O4
Molecular Weight302.26 g/mol
Exact Mass302.07
IUPAC Name(6-fluoro-1,3-benzoxazol-2-yl)methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate
SMILESCc1cc(C(=O)OCc2nc3ccc(F)cc3o2)cc(=O)[nH]1
InChIInChI=1S/C15H11FN2O4/c1-8-4-9(5-13(19)17-8)15(20)21-7-14-18-11-3-2-10(16)6-12(11)22-14/h2-6H,7H2,1H3,(H,17,19)
InChIKeyUPYZKCVXKQQDIO-UHFFFAOYSA-N
XLogP2.32
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1,3-benzoxazol-2-yl)methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of (6-fluoro-1,3-benzoxazol-2-yl)methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate (CID 75516846) is (6-fluoro-1,3-benzoxazol-2-yl)methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for (6-fluoro-1,3-benzoxazol-2-yl)methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for (6-fluoro-1,3-benzoxazol-2-yl)methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate is Cc1cc(C(=O)OCc2nc3ccc(F)cc3o2)cc(=O)[nH]1.
What is the InChIKey of (6-fluoro-1,3-benzoxazol-2-yl)methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate?
The InChIKey is UPYZKCVXKQQDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O4/c1-8-4-9(5-13(19)17-8)15(20)21-7-14-18-11-3-2-10(16)6-12(11)22-14/h2-6H,7H2,1H3,(H,17,19).
What are the key properties of (6-fluoro-1,3-benzoxazol-2-yl)methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate?
(6-fluoro-1,3-benzoxazol-2-yl)methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate has a molecular weight of 302.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1,3-benzoxazol-2-yl)methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 75516846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).