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

C16H13FN2O3 — CID 17487725

IUPAC(5-fluoro-2-hydroxyphenyl)-(3-propyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
SMILESCCCc1noc2ncc(C(=O)c3cc(F)ccc3O)cc12
InChIInChI=1S/C16H13FN2O3/c1-2-3-13-11-6-9(8-18-16(11)22-19-13)15(21)12-7-10(17)4-5-14(12)20/h4-8,20H,2-3H2,1H3
InChIKeyWUJULQFGHSUZSH-UHFFFAOYSA-N
MW300.29 g/mol
LogP3.25
Rot. Bonds4

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

(5-fluoro-2-hydroxyphenyl)-(3-propyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone (PubChem CID 17487725) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is (5-fluoro-2-hydroxyphenyl)-(3-propyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-hydroxyphenyl)-(3-propyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
PubChem CID17487725
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name(5-fluoro-2-hydroxyphenyl)-(3-propyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
SMILESCCCc1noc2ncc(C(=O)c3cc(F)ccc3O)cc12
InChIInChI=1S/C16H13FN2O3/c1-2-3-13-11-6-9(8-18-16(11)22-19-13)15(21)12-7-10(17)4-5-14(12)20/h4-8,20H,2-3H2,1H3
InChIKeyWUJULQFGHSUZSH-UHFFFAOYSA-N
XLogP3.25
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 53.25
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-propyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The IUPAC name of (5-fluoro-2-hydroxyphenyl)-(3-propyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone (CID 17487725) is (5-fluoro-2-hydroxyphenyl)-(3-propyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for (5-fluoro-2-hydroxyphenyl)-(3-propyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The canonical SMILES for (5-fluoro-2-hydroxyphenyl)-(3-propyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone is CCCc1noc2ncc(C(=O)c3cc(F)ccc3O)cc12.
What is the InChIKey of (5-fluoro-2-hydroxyphenyl)-(3-propyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The InChIKey is WUJULQFGHSUZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-2-3-13-11-6-9(8-18-16(11)22-19-13)15(21)12-7-10(17)4-5-14(12)20/h4-8,20H,2-3H2,1H3.
What are the key properties of (5-fluoro-2-hydroxyphenyl)-(3-propyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
(5-fluoro-2-hydroxyphenyl)-(3-propyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone has a molecular weight of 300.29 g/mol, XLogP of 3.25, 4 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-propyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 17487725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).