azepan-1-yl-[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone

C22H22FN3O2 — CID 171315394

IUPACazepan-1-yl-[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
SMILESO=C(c1cc(C2CC2)nc2onc(-c3ccc(F)cc3)c12)N1CCCCCC1
InChIInChI=1S/C22H22FN3O2/c23-16-9-7-15(8-10-16)20-19-17(22(27)26-11-3-1-2-4-12-26)13-18(14-5-6-14)24-21(19)28-25-20/h7-10,13-14H,1-6,11-12H2
InChIKeyANPQZOLMDZHWLT-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.92
Rot. Bonds3

About azepan-1-yl-[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone

azepan-1-yl-[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone (PubChem CID 171315394) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is azepan-1-yl-[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
PubChem CID171315394
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Nameazepan-1-yl-[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
SMILESO=C(c1cc(C2CC2)nc2onc(-c3ccc(F)cc3)c12)N1CCCCCC1
InChIInChI=1S/C22H22FN3O2/c23-16-9-7-15(8-10-16)20-19-17(22(27)26-11-3-1-2-4-12-26)13-18(14-5-6-14)24-21(19)28-25-20/h7-10,13-14H,1-6,11-12H2
InChIKeyANPQZOLMDZHWLT-UHFFFAOYSA-N
XLogP4.92
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze azepan-1-yl-[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone with MolForge

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Related Compounds

[6-cyclopropyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 171315535
(3R)-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 125149055
[6-cyclopropyl-3-(furan-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 51081112
N-cyclopropyl-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxamide
CID 55903387
(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71922606
[6-methyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 171315436
4-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid
CID 119357870
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55777328
(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 167969902
(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 167828807
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 40875796
6-cyclopropyl-3-phenyl-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315419

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone (CID 171315394) is azepan-1-yl-[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone is O=C(c1cc(C2CC2)nc2onc(-c3ccc(F)cc3)c12)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The InChIKey is ANPQZOLMDZHWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c23-16-9-7-15(8-10-16)20-19-17(22(27)26-11-3-1-2-4-12-26)13-18(14-5-6-14)24-21(19)28-25-20/h7-10,13-14H,1-6,11-12H2.
What are the key properties of azepan-1-yl-[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
azepan-1-yl-[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone has a molecular weight of 379.44 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 171315394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).