(4R)-4-[3-oxo-3-[3-[4-(N-phenylanilino)phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one

C27H27N3O3 — CID 162745729

IUPAC(4R)-4-[3-oxo-3-[3-[4-(N-phenylanilino)phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](CCC(=O)N2CC(c3ccc(N(c4ccccc4)c4ccccc4)cc3)C2)CO1
InChIInChI=1S/C27H27N3O3/c31-26(16-13-22-19-33-27(32)28-22)29-17-21(18-29)20-11-14-25(15-12-20)30(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-12,14-15,21-22H,13,16-19H2,(H,28,32)/t22-/m1/s1
InChIKeyBVFQIGUXHHJEJF-JOCHJYFZSA-N
MW441.53 g/mol
LogP4.97
Rot. Bonds7

About (4R)-4-[3-oxo-3-[3-[4-(N-phenylanilino)phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one

(4R)-4-[3-oxo-3-[3-[4-(N-phenylanilino)phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one (PubChem CID 162745729) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is (4R)-4-[3-oxo-3-[3-[4-(N-phenylanilino)phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[3-oxo-3-[3-[4-(N-phenylanilino)phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one
PubChem CID162745729
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name(4R)-4-[3-oxo-3-[3-[4-(N-phenylanilino)phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](CCC(=O)N2CC(c3ccc(N(c4ccccc4)c4ccccc4)cc3)C2)CO1
InChIInChI=1S/C27H27N3O3/c31-26(16-13-22-19-33-27(32)28-22)29-17-21(18-29)20-11-14-25(15-12-20)30(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-12,14-15,21-22H,13,16-19H2,(H,28,32)/t22-/m1/s1
InChIKeyBVFQIGUXHHJEJF-JOCHJYFZSA-N
XLogP4.97
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[3-oxo-3-[3-[4-(N-phenylanilino)phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-4-[3-oxo-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one
CID 162745538
(4R)-4-[3-[3-[4-[3-(methylsulfonylmethyl)azetidin-1-yl]phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
CID 162745804
(4R)-4-[3-[3-[4-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
CID 162745753
(4R)-4-[3-[3-[3-fluoro-4-[3-(trifluoromethyl)azetidin-1-yl]phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
CID 162746007
4-[3-oxo-3-[3-(6-spiro[3.3]heptan-2-yl-3-pyridinyl)azetidin-1-yl]propyl]-1,3-oxazolidin-2-one
CID 162745535
2-[[2-[3-[(4R)-2-oxo-1,3-oxazolidin-4-yl]propanoyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]benzenesulfonamide
CID 162746102
5-[3-oxo-3-[3-[4-(1,2,2-trifluoroethyl)phenyl]azetidin-1-yl]propyl]pyrrolidin-2-one
CID 175404076
(4S)-4-[3-oxo-3-[3-[4-[3-(trifluoromethyl)cyclobutyl]phenyl]azetidin-1-yl]propyl]oxolan-2-one
CID 164953510
[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 3-[6-(2-chlorophenoxy)-3-pyridinyl]azetidine-1-carboxylate
CID 162745775
(4R)-4-(2-oxo-4-phenylbut-3-ynyl)-1,3-oxazolidin-2-one
CID 46895598
lithium (4S)-4-benzyl-1,3-oxazolidin-2-one
CID 21353540
(4R)-4-[3-[6-[(4-methylsulfonylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
CID 162746090

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-oxo-3-[3-[4-(N-phenylanilino)phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[3-oxo-3-[3-[4-(N-phenylanilino)phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one (CID 162745729) is (4R)-4-[3-oxo-3-[3-[4-(N-phenylanilino)phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[3-oxo-3-[3-[4-(N-phenylanilino)phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[3-oxo-3-[3-[4-(N-phenylanilino)phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one is O=C1N[C@H](CCC(=O)N2CC(c3ccc(N(c4ccccc4)c4ccccc4)cc3)C2)CO1.
What is the InChIKey of (4R)-4-[3-oxo-3-[3-[4-(N-phenylanilino)phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one?
The InChIKey is BVFQIGUXHHJEJF-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H27N3O3/c31-26(16-13-22-19-33-27(32)28-22)29-17-21(18-29)20-11-14-25(15-12-20)30(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-12,14-15,21-22H,13,16-19H2,(H,28,32)/t22-/m1/s1.
What are the key properties of (4R)-4-[3-oxo-3-[3-[4-(N-phenylanilino)phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one?
(4R)-4-[3-oxo-3-[3-[4-(N-phenylanilino)phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one has a molecular weight of 441.53 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-oxo-3-[3-[4-(N-phenylanilino)phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 162745729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).