(5-fluoro-2-hydroxyphenyl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone

C14H9FN2O3 — CID 2545462

IUPAC(5-fluoro-2-hydroxyphenyl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1noc2ncc(C(=O)c3cc(F)ccc3O)cc12
InChIInChI=1S/C14H9FN2O3/c1-7-10-4-8(6-16-14(10)20-17-7)13(19)11-5-9(15)2-3-12(11)18/h2-6,18H,1H3
InChIKeyJYEZUXFOCZJKBM-UHFFFAOYSA-N
MW272.24 g/mol
LogP2.61
Rot. Bonds2

About (5-fluoro-2-hydroxyphenyl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone

(5-fluoro-2-hydroxyphenyl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone (PubChem CID 2545462) has the molecular formula C14H9FN2O3 and a molecular weight of 272.24 g/mol. Its IUPAC name is (5-fluoro-2-hydroxyphenyl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-hydroxyphenyl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
PubChem CID2545462
Molecular FormulaC14H9FN2O3
Molecular Weight272.24 g/mol
Exact Mass272.06
IUPAC Name(5-fluoro-2-hydroxyphenyl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1noc2ncc(C(=O)c3cc(F)ccc3O)cc12
InChIInChI=1S/C14H9FN2O3/c1-7-10-4-8(6-16-14(10)20-17-7)13(19)11-5-9(15)2-3-12(11)18/h2-6,18H,1H3
InChIKeyJYEZUXFOCZJKBM-UHFFFAOYSA-N
XLogP2.61
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-hydroxyphenyl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The IUPAC name of (5-fluoro-2-hydroxyphenyl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone (CID 2545462) is (5-fluoro-2-hydroxyphenyl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for (5-fluoro-2-hydroxyphenyl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The canonical SMILES for (5-fluoro-2-hydroxyphenyl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone is Cc1noc2ncc(C(=O)c3cc(F)ccc3O)cc12.
What is the InChIKey of (5-fluoro-2-hydroxyphenyl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The InChIKey is JYEZUXFOCZJKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3/c1-7-10-4-8(6-16-14(10)20-17-7)13(19)11-5-9(15)2-3-12(11)18/h2-6,18H,1H3.
What are the key properties of (5-fluoro-2-hydroxyphenyl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
(5-fluoro-2-hydroxyphenyl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone has a molecular weight of 272.24 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-hydroxyphenyl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 2545462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).