1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-imidazol-1-ylbutan-1-one

C21H24F3N5O2 — CID 110243278

IUPAC1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-imidazol-1-ylbutan-1-one
SMILESCCc1cc(C(F)(F)F)c2c(C3CCCN(C(=O)CC(C)n4ccnc4)C3)noc2n1
InChIInChI=1S/C21H24F3N5O2/c1-3-15-10-16(21(22,23)24)18-19(27-31-20(18)26-15)14-5-4-7-28(11-14)17(30)9-13(2)29-8-6-25-12-29/h6,8,10,12-14H,3-5,7,9,11H2,1-2H3
InChIKeyCXBFHAXBEYZYHL-UHFFFAOYSA-N
MW435.45 g/mol
LogP4.36
Rot. Bonds5

About 1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-imidazol-1-ylbutan-1-one

1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-imidazol-1-ylbutan-1-one (PubChem CID 110243278) has the molecular formula C21H24F3N5O2 and a molecular weight of 435.45 g/mol. Its IUPAC name is 1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-imidazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-imidazol-1-ylbutan-1-one
PubChem CID110243278
Molecular FormulaC21H24F3N5O2
Molecular Weight435.45 g/mol
Exact Mass435.19
IUPAC Name1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-imidazol-1-ylbutan-1-one
SMILESCCc1cc(C(F)(F)F)c2c(C3CCCN(C(=O)CC(C)n4ccnc4)C3)noc2n1
InChIInChI=1S/C21H24F3N5O2/c1-3-15-10-16(21(22,23)24)18-19(27-31-20(18)26-15)14-5-4-7-28(11-14)17(30)9-13(2)29-8-6-25-12-29/h6,8,10,12-14H,3-5,7,9,11H2,1-2H3
InChIKeyCXBFHAXBEYZYHL-UHFFFAOYSA-N
XLogP4.36
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-imidazol-1-ylbutan-1-one with MolForge

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Related Compounds

1-[(3S)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 92588608
1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 110235817
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92588632
(2S)-2-imidazol-1-yl-1-[(3R)-3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]propan-1-one
CID 95850019
3-imidazol-1-yl-1-[(3R)-3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]propan-1-one
CID 92580827
(2R)-1-[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)propan-1-one
CID 95850059
1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-one
CID 110243279
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92589101
[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 92588639
3-(2-methylimidazol-1-yl)-1-[(3R)-3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]propan-1-one
CID 92565816
3-[(3S)-1-cyclohexylsulfonylpiperidin-3-yl]-6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
CID 92588676
[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone
CID 110235685

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-imidazol-1-ylbutan-1-one?
The IUPAC name of 1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-imidazol-1-ylbutan-1-one (CID 110243278) is 1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-imidazol-1-ylbutan-1-one.
What is the SMILES notation for 1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-imidazol-1-ylbutan-1-one?
The canonical SMILES for 1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-imidazol-1-ylbutan-1-one is CCc1cc(C(F)(F)F)c2c(C3CCCN(C(=O)CC(C)n4ccnc4)C3)noc2n1.
What is the InChIKey of 1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-imidazol-1-ylbutan-1-one?
The InChIKey is CXBFHAXBEYZYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O2/c1-3-15-10-16(21(22,23)24)18-19(27-31-20(18)26-15)14-5-4-7-28(11-14)17(30)9-13(2)29-8-6-25-12-29/h6,8,10,12-14H,3-5,7,9,11H2,1-2H3.
What are the key properties of 1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-imidazol-1-ylbutan-1-one?
1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-imidazol-1-ylbutan-1-one has a molecular weight of 435.45 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-imidazol-1-ylbutan-1-one is sourced from PubChem (CID 110243278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).