(4S)-N-[3-(2'-chlorospiro[piperidine-4,9'-xanthene]-1-yl)propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide

C30H28ClF2N3O4 — CID 10281391

IUPAC(4S)-N-[3-(2'-chlorospiro[piperidine-4,9'-xanthene]-1-yl)propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESO=C(NCCCN1CCC2(CC1)c1ccccc1Oc1ccc(Cl)cc12)N1C(=O)OC[C@@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C30H28ClF2N3O4/c31-20-7-9-27-22(17-20)30(21-4-1-2-5-26(21)40-27)10-14-35(15-11-30)13-3-12-34-28(37)36-25(18-39-29(36)38)19-6-8-23(32)24(33)16-19/h1-2,4-9,16-17,25H,3,10-15,18H2,(H,34,37)/t25-/m1/s1
InChIKeyXURPCIRBCXVTDW-RUZDIDTESA-N
MW568.02 g/mol
LogP6.40
Rot. Bonds5

About (4S)-N-[3-(2'-chlorospiro[piperidine-4,9'-xanthene]-1-yl)propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide

(4S)-N-[3-(2'-chlorospiro[piperidine-4,9'-xanthene]-1-yl)propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 10281391) has the molecular formula C30H28ClF2N3O4 and a molecular weight of 568.02 g/mol. Its IUPAC name is (4S)-N-[3-(2'-chlorospiro[piperidine-4,9'-xanthene]-1-yl)propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(4S)-N-[3-(2'-chlorospiro[piperidine-4,9'-xanthene]-1-yl)propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
PubChem CID10281391
Molecular FormulaC30H28ClF2N3O4
Molecular Weight568.02 g/mol
Exact Mass567.17
IUPAC Name(4S)-N-[3-(2'-chlorospiro[piperidine-4,9'-xanthene]-1-yl)propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESO=C(NCCCN1CCC2(CC1)c1ccccc1Oc1ccc(Cl)cc12)N1C(=O)OC[C@@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C30H28ClF2N3O4/c31-20-7-9-27-22(17-20)30(21-4-1-2-5-26(21)40-27)10-14-35(15-11-30)13-3-12-34-28(37)36-25(18-39-29(36)38)19-6-8-23(32)24(33)16-19/h1-2,4-9,16-17,25H,3,10-15,18H2,(H,34,37)/t25-/m1/s1
InChIKeyXURPCIRBCXVTDW-RUZDIDTESA-N
XLogP6.40
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.02
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4S)-N-[3-(2'-chlorospiro[piperidine-4,9'-xanthene]-1-yl)propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide 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

4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[piperidine-4,9'-thioxanthene]-1-ylpropyl)-1,3-oxazolidine-3-carboxamide
CID 18740743
N-[3-[4-cyano-4-(2,4-dichlorophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
CID 22993495
(4R)-4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one
CID 10142578
(4S)-4-(3,4-difluorophenyl)-3-(6-spiro[piperidine-4,9'-thioxanthene]-1-ylhexyl)-1,3-oxazolidin-2-one
CID 10187471
4-(3,4-difluorophenyl)-N-[2-[(4-methylsulfonyl-4-phenylcyclohexyl)amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide
CID 18789781
6-chloro-1'-[5-[(4S)-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]pentyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 70179739
methyl 4-[2-[[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carbonyl]amino]ethylamino]-1-phenylcyclohexane-1-carboxylate
CID 54253775
3-(3,4-difluorophenyl)-N-[3-(4,4-dimethylpiperidin-1-yl)propyl]morpholine-4-carboxamide
CID 22977444
(2S)-N-[3-[4-cyano-4-(2-cyanophenyl)piperidin-1-yl]propyl]-2-(3,4-difluorophenyl)-6-oxopiperidine-1-carboxamide;hydrochloride
CID 20709240
N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-(4-fluoro-3-phosphanylphenyl)morpholine-4-carboxamide
CID 142000825
N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]-2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxamide
CID 22049486
4-(3,4-difluorophenyl)-3-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-oxo-1,3-oxazolidine-3,5-dicarboxamide
CID 20706360

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[3-(2'-chlorospiro[piperidine-4,9'-xanthene]-1-yl)propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (4S)-N-[3-(2'-chlorospiro[piperidine-4,9'-xanthene]-1-yl)propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide (CID 10281391) is (4S)-N-[3-(2'-chlorospiro[piperidine-4,9'-xanthene]-1-yl)propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (4S)-N-[3-(2'-chlorospiro[piperidine-4,9'-xanthene]-1-yl)propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (4S)-N-[3-(2'-chlorospiro[piperidine-4,9'-xanthene]-1-yl)propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide is O=C(NCCCN1CCC2(CC1)c1ccccc1Oc1ccc(Cl)cc12)N1C(=O)OC[C@@H]1c1ccc(F)c(F)c1.
What is the InChIKey of (4S)-N-[3-(2'-chlorospiro[piperidine-4,9'-xanthene]-1-yl)propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
The InChIKey is XURPCIRBCXVTDW-RUZDIDTESA-N. The full InChI is InChI=1S/C30H28ClF2N3O4/c31-20-7-9-27-22(17-20)30(21-4-1-2-5-26(21)40-27)10-14-35(15-11-30)13-3-12-34-28(37)36-25(18-39-29(36)38)19-6-8-23(32)24(33)16-19/h1-2,4-9,16-17,25H,3,10-15,18H2,(H,34,37)/t25-/m1/s1.
What are the key properties of (4S)-N-[3-(2'-chlorospiro[piperidine-4,9'-xanthene]-1-yl)propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
(4S)-N-[3-(2'-chlorospiro[piperidine-4,9'-xanthene]-1-yl)propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 568.02 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[3-(2'-chlorospiro[piperidine-4,9'-xanthene]-1-yl)propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 10281391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).