[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C18H18F3N3O3 — CID 169417547

IUPAC[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCc2oc(C3CCOCC3)nc2C1
InChIInChI=1S/C18H18F3N3O3/c19-18(20,21)15-2-1-12(9-22-15)17(25)24-6-3-14-13(10-24)23-16(27-14)11-4-7-26-8-5-11/h1-2,9,11H,3-8,10H2
InChIKeyRPQWVFCJVJQLRN-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.18
Rot. Bonds2

About [2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 169417547) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is [2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID169417547
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC Name[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCc2oc(C3CCOCC3)nc2C1
InChIInChI=1S/C18H18F3N3O3/c19-18(20,21)15-2-1-12(9-22-15)17(25)24-6-3-14-13(10-24)23-16(27-14)11-4-7-26-8-5-11/h1-2,9,11H,3-8,10H2
InChIKeyRPQWVFCJVJQLRN-UHFFFAOYSA-N
XLogP3.18
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-fluorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 73603977
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone
CID 74221949
(2-fluorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 74221951
mGlu5R NAM DSR-98776
CID 74222036
3-[(S)-1-[6-(trifluoromethyl)-nicotinoyl]-3-piperidyloxy]-2-pyrazinecarbonitrile
CID 100651472
{5-Methyl-2-[1-(3-pyridylcarbonyl)-4-piperidyl]-1,3-oxazol-4-YL}(piperidino)methanone
CID 53168392
4-{[2-(1-Isonicotinoylpiperidin-4-yl)-5-methyl-1,3-oxazol-4-yl]carbonyl}morpholine
CID 53168410
{5-Methyl-2-[1-(2-pyridylcarbonyl)-4-piperidyl]-1,3-oxazol-4-YL}(morpholino)methanone
CID 71837673
2-Cyclopropyl-5-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 51078545
(S)-(3,4-difluoro-phenyl)(3-(4-(pyridin-2-yl)-oxazol-2-yl)-piperidin-1-yl)-methanone
CID 24984550
(S)-(4-fluoro-phenyl)(3-(4-(5-fluoro-pyridin-2-yl)-oxazol-2-yl)-piperidin-1-yl)-methanone
CID 24984551
[(3S)-3-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(6-fluoro-3-pyridinyl)methanone
CID 24984553

Frequently Asked Questions

What is the IUPAC name of [2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 169417547) is [2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)nc1)N1CCc2oc(C3CCOCC3)nc2C1.
What is the InChIKey of [2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is RPQWVFCJVJQLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c19-18(20,21)15-2-1-12(9-22-15)17(25)24-6-3-14-13(10-24)23-16(27-14)11-4-7-26-8-5-11/h1-2,9,11H,3-8,10H2.
What are the key properties of [2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 381.35 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 169417547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).