3-cyclopropyl-6-[4-(difluoromethoxy)phenyl]-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine

C17H11F5N2O2 — CID 29091545

IUPAC3-cyclopropyl-6-[4-(difluoromethoxy)phenyl]-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESFC(F)Oc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)noc3n2)cc1
InChIInChI=1S/C17H11F5N2O2/c18-16(19)25-10-5-3-8(4-6-10)12-7-11(17(20,21)22)13-14(9-1-2-9)24-26-15(13)23-12/h3-7,9,16H,1-2H2
InChIKeyFYFJWQVCXINVRQ-UHFFFAOYSA-N
MW370.28 g/mol
LogP5.39
Rot. Bonds4

About 3-cyclopropyl-6-[4-(difluoromethoxy)phenyl]-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine

3-cyclopropyl-6-[4-(difluoromethoxy)phenyl]-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 29091545) has the molecular formula C17H11F5N2O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 3-cyclopropyl-6-[4-(difluoromethoxy)phenyl]-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-6-[4-(difluoromethoxy)phenyl]-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
PubChem CID29091545
Molecular FormulaC17H11F5N2O2
Molecular Weight370.28 g/mol
Exact Mass370.07
IUPAC Name3-cyclopropyl-6-[4-(difluoromethoxy)phenyl]-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESFC(F)Oc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)noc3n2)cc1
InChIInChI=1S/C17H11F5N2O2/c18-16(19)25-10-5-3-8(4-6-10)12-7-11(17(20,21)22)13-14(9-1-2-9)24-26-15(13)23-12/h3-7,9,16H,1-2H2
InChIKeyFYFJWQVCXINVRQ-UHFFFAOYSA-N
XLogP5.39
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.28
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[4-(difluoromethoxy)phenyl]-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-6-[4-(difluoromethoxy)phenyl]-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (CID 29091545) is 3-cyclopropyl-6-[4-(difluoromethoxy)phenyl]-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-6-[4-(difluoromethoxy)phenyl]-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-6-[4-(difluoromethoxy)phenyl]-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is FC(F)Oc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)noc3n2)cc1.
What is the InChIKey of 3-cyclopropyl-6-[4-(difluoromethoxy)phenyl]-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is FYFJWQVCXINVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N2O2/c18-16(19)25-10-5-3-8(4-6-10)12-7-11(17(20,21)22)13-14(9-1-2-9)24-26-15(13)23-12/h3-7,9,16H,1-2H2.
What are the key properties of 3-cyclopropyl-6-[4-(difluoromethoxy)phenyl]-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
3-cyclopropyl-6-[4-(difluoromethoxy)phenyl]-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 370.28 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[4-(difluoromethoxy)phenyl]-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 29091545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).