ethyl 5-[[[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-ethylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate

C24H27ClN4O5 — CID 66660828

IUPACethyl 5-[[[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-ethylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(COC(=O)N(CC)C2CCN(c3ccc4cc(Cl)ccc4n3)CC2)on1
InChIInChI=1S/C24H27ClN4O5/c1-3-29(24(31)33-15-19-14-21(27-34-19)23(30)32-4-2)18-9-11-28(12-10-18)22-8-5-16-13-17(25)6-7-20(16)26-22/h5-8,13-14,18H,3-4,9-12,15H2,1-2H3
InChIKeyIXGDDLAHQVBZEI-UHFFFAOYSA-N
MW486.96 g/mol
LogP4.68
Rot. Bonds7

About ethyl 5-[[[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-ethylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate

ethyl 5-[[[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-ethylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate (PubChem CID 66660828) has the molecular formula C24H27ClN4O5 and a molecular weight of 486.96 g/mol. Its IUPAC name is ethyl 5-[[[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-ethylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-ethylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate
PubChem CID66660828
Molecular FormulaC24H27ClN4O5
Molecular Weight486.96 g/mol
Exact Mass486.17
IUPAC Nameethyl 5-[[[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-ethylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(COC(=O)N(CC)C2CCN(c3ccc4cc(Cl)ccc4n3)CC2)on1
InChIInChI=1S/C24H27ClN4O5/c1-3-29(24(31)33-15-19-14-21(27-34-19)23(30)32-4-2)18-9-11-28(12-10-18)22-8-5-16-13-17(25)6-7-20(16)26-22/h5-8,13-14,18H,3-4,9-12,15H2,1-2H3
InChIKeyIXGDDLAHQVBZEI-UHFFFAOYSA-N
XLogP4.68
TPSA98.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.96
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 5-[[[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-ethylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172902586
(3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-(6-fluoroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate
CID 66660907
2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamic acid
CID 67395655
N-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171997661
[2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-2-(methylamino)ethyl]-(2-oxoethyl)carbamic acid
CID 87283784
ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate
CID 141431671
[7-(6-chloroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]methylcarbamic acid
CID 68761021
[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl N-[2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate
CID 141259695
N-(4-chlorophenyl)-N-ethyl-1-quinolin-2-ylpiperidin-4-amine
CID 174513076
1-[(3R,4S)-1-(6-chloroquinolin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134698620
ethyl 1-(6-pyridin-4-ylquinolin-2-yl)piperidine-4-carboxylate;hydrochloride
CID 156801017
2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]ethyl-[2,2,2-trifluoro-1-(1,3-thiazol-4-yl)ethyl]carbamic acid
CID 123166559

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-ethylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[[[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-ethylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate (CID 66660828) is ethyl 5-[[[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-ethylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[[[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-ethylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[[[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-ethylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(COC(=O)N(CC)C2CCN(c3ccc4cc(Cl)ccc4n3)CC2)on1.
What is the InChIKey of ethyl 5-[[[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-ethylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate?
The InChIKey is IXGDDLAHQVBZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O5/c1-3-29(24(31)33-15-19-14-21(27-34-19)23(30)32-4-2)18-9-11-28(12-10-18)22-8-5-16-13-17(25)6-7-20(16)26-22/h5-8,13-14,18H,3-4,9-12,15H2,1-2H3.
What are the key properties of ethyl 5-[[[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-ethylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[[[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-ethylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate has a molecular weight of 486.96 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-ethylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 66660828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).