(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

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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).