[3-(2-chlorophenyl)pyrrolidin-1-yl]-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]methanone

C24H20ClN3O3 — CID 24791219

IUPAC[3-(2-chlorophenyl)pyrrolidin-1-yl]-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(COc2cccc3cnccc23)on1)N1CCC(c2ccccc2Cl)C1
InChIInChI=1S/C24H20ClN3O3/c25-21-6-2-1-5-19(21)17-9-11-28(14-17)24(29)22-12-18(31-27-22)15-30-23-7-3-4-16-13-26-10-8-20(16)23/h1-8,10,12-13,17H,9,11,14-15H2
InChIKeyKBCZVHFXKUDZGE-UHFFFAOYSA-N
MW433.90 g/mol
LogP5.08
Rot. Bonds5

About [3-(2-chlorophenyl)pyrrolidin-1-yl]-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]methanone

[3-(2-chlorophenyl)pyrrolidin-1-yl]-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]methanone (PubChem CID 24791219) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is [3-(2-chlorophenyl)pyrrolidin-1-yl]-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)pyrrolidin-1-yl]-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]methanone
PubChem CID24791219
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name[3-(2-chlorophenyl)pyrrolidin-1-yl]-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(COc2cccc3cnccc23)on1)N1CCC(c2ccccc2Cl)C1
InChIInChI=1S/C24H20ClN3O3/c25-21-6-2-1-5-19(21)17-9-11-28(14-17)24(29)22-12-18(31-27-22)15-30-23-7-3-4-16-13-26-10-8-20(16)23/h1-8,10,12-13,17H,9,11,14-15H2
InChIKeyKBCZVHFXKUDZGE-UHFFFAOYSA-N
XLogP5.08
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(2-chlorophenyl)pyrrolidin-1-yl]-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]methanone with MolForge

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Related Compounds

(3-aminopiperidin-1-yl)-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]methanone;hydrochloride
CID 119381953
(4-cyclopentylpiperazin-1-yl)-[5-(quinolin-8-yloxymethyl)-1,2-oxazol-3-yl]methanone
CID 42216229
[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-[2-(isoquinolin-5-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 56709517
[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119564152
[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 24790866
[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72926522
[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 42415742
N-cyclopropyl-5-(isoquinolin-5-yloxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 25486572
[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-(3-methylpiperazin-1-yl)methanone
CID 119580992
[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119547133
5-(isoquinolin-5-yloxymethyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 28731346
[(3R)-3-methylpiperidin-1-yl]-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 25379228

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)pyrrolidin-1-yl]-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [3-(2-chlorophenyl)pyrrolidin-1-yl]-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]methanone (CID 24791219) is [3-(2-chlorophenyl)pyrrolidin-1-yl]-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [3-(2-chlorophenyl)pyrrolidin-1-yl]-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [3-(2-chlorophenyl)pyrrolidin-1-yl]-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]methanone is O=C(c1cc(COc2cccc3cnccc23)on1)N1CCC(c2ccccc2Cl)C1.
What is the InChIKey of [3-(2-chlorophenyl)pyrrolidin-1-yl]-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is KBCZVHFXKUDZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c25-21-6-2-1-5-19(21)17-9-11-28(14-17)24(29)22-12-18(31-27-22)15-30-23-7-3-4-16-13-26-10-8-20(16)23/h1-8,10,12-13,17H,9,11,14-15H2.
What are the key properties of [3-(2-chlorophenyl)pyrrolidin-1-yl]-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]methanone?
[3-(2-chlorophenyl)pyrrolidin-1-yl]-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 433.90 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)pyrrolidin-1-yl]-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 24791219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).