(2-phenyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone

C20H11F3N2O2 — CID 19990481

IUPAC(2-phenyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1ccc2oc(-c3ccccc3)nc2n1
InChIInChI=1S/C20H11F3N2O2/c21-20(22,23)14-8-6-12(7-9-14)17(26)15-10-11-16-18(24-15)25-19(27-16)13-4-2-1-3-5-13/h1-11H
InChIKeyPRGWEOKYEFFFKB-UHFFFAOYSA-N
MW368.31 g/mol
LogP5.14
Rot. Bonds3

About (2-phenyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone

(2-phenyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 19990481) has the molecular formula C20H11F3N2O2 and a molecular weight of 368.31 g/mol. Its IUPAC name is (2-phenyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-phenyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID19990481
Molecular FormulaC20H11F3N2O2
Molecular Weight368.31 g/mol
Exact Mass368.08
IUPAC Name(2-phenyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1ccc2oc(-c3ccccc3)nc2n1
InChIInChI=1S/C20H11F3N2O2/c21-20(22,23)14-8-6-12(7-9-14)17(26)15-10-11-16-18(24-15)25-19(27-16)13-4-2-1-3-5-13/h1-11H
InChIKeyPRGWEOKYEFFFKB-UHFFFAOYSA-N
XLogP5.14
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.31
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-phenyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 19990481) is (2-phenyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-phenyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-phenyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)c1ccc2oc(-c3ccccc3)nc2n1.
What is the InChIKey of (2-phenyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is PRGWEOKYEFFFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N2O2/c21-20(22,23)14-8-6-12(7-9-14)17(26)15-10-11-16-18(24-15)25-19(27-16)13-4-2-1-3-5-13/h1-11H.
What are the key properties of (2-phenyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
(2-phenyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 368.31 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 19990481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).