1-(6-oxaspiro[2.5]octan-2-yl)-3-[4-(2-oxoazetidin-1-yl)phenyl]urea

C17H21N3O3 — CID 128625442

IUPAC1-(6-oxaspiro[2.5]octan-2-yl)-3-[4-(2-oxoazetidin-1-yl)phenyl]urea
SMILESO=C(Nc1ccc(N2CCC2=O)cc1)NC1CC12CCOCC2
InChIInChI=1S/C17H21N3O3/c21-15-5-8-20(15)13-3-1-12(2-4-13)18-16(22)19-14-11-17(14)6-9-23-10-7-17/h1-4,14H,5-11H2,(H2,18,19,22)
InChIKeyYCWRUCFDWUEMDK-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.11
Rot. Bonds3

About 1-(6-oxaspiro[2.5]octan-2-yl)-3-[4-(2-oxoazetidin-1-yl)phenyl]urea

1-(6-oxaspiro[2.5]octan-2-yl)-3-[4-(2-oxoazetidin-1-yl)phenyl]urea (PubChem CID 128625442) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(6-oxaspiro[2.5]octan-2-yl)-3-[4-(2-oxoazetidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(6-oxaspiro[2.5]octan-2-yl)-3-[4-(2-oxoazetidin-1-yl)phenyl]urea
PubChem CID128625442
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-(6-oxaspiro[2.5]octan-2-yl)-3-[4-(2-oxoazetidin-1-yl)phenyl]urea
SMILESO=C(Nc1ccc(N2CCC2=O)cc1)NC1CC12CCOCC2
InChIInChI=1S/C17H21N3O3/c21-15-5-8-20(15)13-3-1-12(2-4-13)18-16(22)19-14-11-17(14)6-9-23-10-7-17/h1-4,14H,5-11H2,(H2,18,19,22)
InChIKeyYCWRUCFDWUEMDK-UHFFFAOYSA-N
XLogP2.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-hydroxyethyl)oxan-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 71849127
1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[4-(2-oxoazetidin-1-yl)phenyl]urea
CID 124733513
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 128930624
2-[cyclopropylmethyl-[3-[[4-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122092580
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119688467
1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 119270721
N-cyclopentyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679166
2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide
CID 1495338
(2R,4R)-2-(4-chlorophenyl)-4-hydroxy-2-N-[4-(5-oxo-1,4-oxazepan-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 142677839
5-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 110665423

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxaspiro[2.5]octan-2-yl)-3-[4-(2-oxoazetidin-1-yl)phenyl]urea?
The IUPAC name of 1-(6-oxaspiro[2.5]octan-2-yl)-3-[4-(2-oxoazetidin-1-yl)phenyl]urea (CID 128625442) is 1-(6-oxaspiro[2.5]octan-2-yl)-3-[4-(2-oxoazetidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-(6-oxaspiro[2.5]octan-2-yl)-3-[4-(2-oxoazetidin-1-yl)phenyl]urea?
The canonical SMILES for 1-(6-oxaspiro[2.5]octan-2-yl)-3-[4-(2-oxoazetidin-1-yl)phenyl]urea is O=C(Nc1ccc(N2CCC2=O)cc1)NC1CC12CCOCC2.
What is the InChIKey of 1-(6-oxaspiro[2.5]octan-2-yl)-3-[4-(2-oxoazetidin-1-yl)phenyl]urea?
The InChIKey is YCWRUCFDWUEMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-15-5-8-20(15)13-3-1-12(2-4-13)18-16(22)19-14-11-17(14)6-9-23-10-7-17/h1-4,14H,5-11H2,(H2,18,19,22).
What are the key properties of 1-(6-oxaspiro[2.5]octan-2-yl)-3-[4-(2-oxoazetidin-1-yl)phenyl]urea?
1-(6-oxaspiro[2.5]octan-2-yl)-3-[4-(2-oxoazetidin-1-yl)phenyl]urea has a molecular weight of 315.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxaspiro[2.5]octan-2-yl)-3-[4-(2-oxoazetidin-1-yl)phenyl]urea is sourced from PubChem (CID 128625442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).