(3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-(6-fluoroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate

C22H24FN5O4 — CID 66660907

IUPAC(3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-(6-fluoroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate
SMILESNC(=O)c1cc(COC(=O)NCCC2CCN(c3ccc4cc(F)ccc4n3)CC2)on1
InChIInChI=1S/C22H24FN5O4/c23-16-2-3-18-15(11-16)1-4-20(26-18)28-9-6-14(7-10-28)5-8-25-22(30)31-13-17-12-19(21(24)29)27-32-17/h1-4,11-12,14H,5-10,13H2,(H2,24,29)(H,25,30)
InChIKeyYFBXZTIGVSJDAQ-UHFFFAOYSA-N
MW441.46 g/mol
LogP2.99
Rot. Bonds7

About (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-(6-fluoroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate

(3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-(6-fluoroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate (PubChem CID 66660907) has the molecular formula C22H24FN5O4 and a molecular weight of 441.46 g/mol. Its IUPAC name is (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-(6-fluoroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Name(3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-(6-fluoroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate
PubChem CID66660907
Molecular FormulaC22H24FN5O4
Molecular Weight441.46 g/mol
Exact Mass441.18
IUPAC Name(3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-(6-fluoroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate
SMILESNC(=O)c1cc(COC(=O)NCCC2CCN(c3ccc4cc(F)ccc4n3)CC2)on1
InChIInChI=1S/C22H24FN5O4/c23-16-2-3-18-15(11-16)1-4-20(26-18)28-9-6-14(7-10-28)5-8-25-22(30)31-13-17-12-19(21(24)29)27-32-17/h1-4,11-12,14H,5-10,13H2,(H2,24,29)(H,25,30)
InChIKeyYFBXZTIGVSJDAQ-UHFFFAOYSA-N
XLogP2.99
TPSA123.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-(6-fluoroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate 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

[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethyl]carbamate
CID 66660874
[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl N-[2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate
CID 141259695
(2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 68574069
1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 44623659
ethyl 5-[[[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-ethylcarbamoyl]oxymethyl]-1,2-oxazole-3-carboxylate
CID 66660828
(3-carbamoyl-1,2-oxazol-5-yl)methyl N-[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamate
CID 46853375
2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid
CID 82166158
(3-carbamoyl-1,2-oxazol-5-yl)methyl-[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamic acid;[7-(6-fluoroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid
CID 161186156
[3-(6-fluoroquinolin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid
CID 67607716
[6-[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate
CID 67420254
2-[1-(5-methoxyquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid
CID 67135999
1,3-thiazol-4-ylmethyl N-[2-[1-[6-[3-(dimethylcarbamoyl)phenyl]-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 140567371

Frequently Asked Questions

What is the IUPAC name of (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-(6-fluoroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate?
The IUPAC name of (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-(6-fluoroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate (CID 66660907) is (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-(6-fluoroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-(6-fluoroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-(6-fluoroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate is NC(=O)c1cc(COC(=O)NCCC2CCN(c3ccc4cc(F)ccc4n3)CC2)on1.
What is the InChIKey of (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-(6-fluoroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate?
The InChIKey is YFBXZTIGVSJDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O4/c23-16-2-3-18-15(11-16)1-4-20(26-18)28-9-6-14(7-10-28)5-8-25-22(30)31-13-17-12-19(21(24)29)27-32-17/h1-4,11-12,14H,5-10,13H2,(H2,24,29)(H,25,30).
What are the key properties of (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-(6-fluoroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate?
(3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-(6-fluoroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate has a molecular weight of 441.46 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-(6-fluoroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 66660907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).