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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Related Compounds

4-[4-(4-fluoro-2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 134806472
3-Methyl-6-phenyl-4-(trifluoromethyl)isoxazolo(5,4-B)pyridine
CID 2324446
6-cyclopropyl-3-methyl-N-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 25980030
6-cyclopropyl-N-(2,5-dimethoxyphenyl)-3-methyl[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 25992474
N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134788522
6-(2-fluoro-4-methoxyphenyl)-3-methyl-N'-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 2088707
Methyl 6-(4-fluorophenyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylate
CID 9454189
6-cyclopropyl-N-[2-(difluoromethoxy)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17537496
N-(2,4-difluorophenyl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24246393
4-(difluoromethyl)-6-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 92599728
Cyclopropyl-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 110235689
4-[4-(4-Fluoro-2-methoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 134805490

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).