1,2-oxazol-5-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone

C16H13N3O3 — CID 122250187

IUPAC1,2-oxazol-5-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
SMILESO=C(c1ccno1)N1CC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C16H13N3O3/c20-16(14-7-8-17-22-14)19-9-12(10-19)21-15-6-5-11-3-1-2-4-13(11)18-15/h1-8,12H,9-10H2
InChIKeyQXJOMFGWLRIDKY-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.13
Rot. Bonds3

About 1,2-oxazol-5-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone

1,2-oxazol-5-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone (PubChem CID 122250187) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1,2-oxazol-5-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name1,2-oxazol-5-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
PubChem CID122250187
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name1,2-oxazol-5-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
SMILESO=C(c1ccno1)N1CC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C16H13N3O3/c20-16(14-7-8-17-22-14)19-9-12(10-19)21-15-6-5-11-3-1-2-4-13(11)18-15/h1-8,12H,9-10H2
InChIKeyQXJOMFGWLRIDKY-UHFFFAOYSA-N
XLogP2.13
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-fluorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250299
pyridin-3-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250415
(4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250286
1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250203
3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one
CID 122250273
(5-bromo-2-chlorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250314
(4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250593
pyridin-2-yl-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815849
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 91627450
N-benzhydryl-3-quinolin-2-yloxyazetidine-1-carboxamide
CID 122250579
(2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815832
N-(4-methylphenyl)-3-quinolin-2-yloxyazetidine-1-carboxamide
CID 122250544

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone?
The IUPAC name of 1,2-oxazol-5-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone (CID 122250187) is 1,2-oxazol-5-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone.
What is the SMILES notation for 1,2-oxazol-5-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone?
The canonical SMILES for 1,2-oxazol-5-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone is O=C(c1ccno1)N1CC(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of 1,2-oxazol-5-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone?
The InChIKey is QXJOMFGWLRIDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-16(14-7-8-17-22-14)19-9-12(10-19)21-15-6-5-11-3-1-2-4-13(11)18-15/h1-8,12H,9-10H2.
What are the key properties of 1,2-oxazol-5-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone?
1,2-oxazol-5-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone has a molecular weight of 295.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone is sourced from PubChem (CID 122250187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).