(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone

C19H21N3O2 — CID 121153393

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)on1)N1CC(N2CCc3ccccc3C2)C1
InChIInChI=1S/C19H21N3O2/c23-19(17-9-18(24-20-17)14-5-6-14)22-11-16(12-22)21-8-7-13-3-1-2-4-15(13)10-21/h1-4,9,14,16H,5-8,10-12H2
InChIKeyWJZCLZLVQVKORD-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.43
Rot. Bonds3

About (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone (PubChem CID 121153393) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone
PubChem CID121153393
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)on1)N1CC(N2CCc3ccccc3C2)C1
InChIInChI=1S/C19H21N3O2/c23-19(17-9-18(24-20-17)14-5-6-14)22-11-16(12-22)21-8-7-13-3-1-2-4-15(13)10-21/h1-4,9,14,16H,5-8,10-12H2
InChIKeyWJZCLZLVQVKORD-UHFFFAOYSA-N
XLogP2.43
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone with MolForge

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Related Compounds

[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 121153523
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-quinolin-2-ylmethanone
CID 119099914
[(3R,4R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 133125471
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63104546
(2-chlorophenyl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone
CID 121017117
[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 100722964
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 121153510
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone
CID 90608568
[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 126901183
[4-(3,4-dichlorophenyl)phenyl]-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone
CID 121153401
(6-chloro-2-cyclopropylpyrimidin-4-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone
CID 155120452
2-cyclopropyl-1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]ethanone
CID 121153583

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone (CID 121153393) is (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone is O=C(c1cc(C2CC2)on1)N1CC(N2CCc3ccccc3C2)C1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone?
The InChIKey is WJZCLZLVQVKORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-19(17-9-18(24-20-17)14-5-6-14)22-11-16(12-22)21-8-7-13-3-1-2-4-15(13)10-21/h1-4,9,14,16H,5-8,10-12H2.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone has a molecular weight of 323.40 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 121153393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).