3-[(1R,2S)-2-fluoro-2-phenyl-1-(9-phenylcarbazol-3-yl)ethyl]-1,3-oxazolidin-2-one

C29H23FN2O2 — CID 162406454

IUPAC3-[(1R,2S)-2-fluoro-2-phenyl-1-(9-phenylcarbazol-3-yl)ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1[C@H](c1ccc2c(c1)c1ccccc1n2-c1ccccc1)[C@@H](F)c1ccccc1
InChIInChI=1S/C29H23FN2O2/c30-27(20-9-3-1-4-10-20)28(31-17-18-34-29(31)33)21-15-16-26-24(19-21)23-13-7-8-14-25(23)32(26)22-11-5-2-6-12-22/h1-16,19,27-28H,17-18H2/t27-,28+/m0/s1
InChIKeyKZORYIRMTXCQCB-WUFINQPMSA-N
MW450.51 g/mol
LogP6.99
Rot. Bonds5

About 3-[(1R,2S)-2-fluoro-2-phenyl-1-(9-phenylcarbazol-3-yl)ethyl]-1,3-oxazolidin-2-one

3-[(1R,2S)-2-fluoro-2-phenyl-1-(9-phenylcarbazol-3-yl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 162406454) has the molecular formula C29H23FN2O2 and a molecular weight of 450.51 g/mol. Its IUPAC name is 3-[(1R,2S)-2-fluoro-2-phenyl-1-(9-phenylcarbazol-3-yl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1R,2S)-2-fluoro-2-phenyl-1-(9-phenylcarbazol-3-yl)ethyl]-1,3-oxazolidin-2-one
PubChem CID162406454
Molecular FormulaC29H23FN2O2
Molecular Weight450.51 g/mol
Exact Mass450.17
IUPAC Name3-[(1R,2S)-2-fluoro-2-phenyl-1-(9-phenylcarbazol-3-yl)ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1[C@H](c1ccc2c(c1)c1ccccc1n2-c1ccccc1)[C@@H](F)c1ccccc1
InChIInChI=1S/C29H23FN2O2/c30-27(20-9-3-1-4-10-20)28(31-17-18-34-29(31)33)21-15-16-26-24(19-21)23-13-7-8-14-25(23)32(26)22-11-5-2-6-12-22/h1-16,19,27-28H,17-18H2/t27-,28+/m0/s1
InChIKeyKZORYIRMTXCQCB-WUFINQPMSA-N
XLogP6.99
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.51
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(1R,2S)-2-fluoro-2-phenyl-1-(9-phenylcarbazol-3-yl)ethyl]-1,3-oxazolidin-2-one 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

Ethyl 3-methyl-9H-carbazole-9-carboxylate
CID 10354902
Methyl 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)carbazole-9-carboxylate
CID 57400176
Methyl 1,2,3,4-tetrahydro-6-methyl-9H-carbazole-9-acetate
CID 658349
6-(4-fluorobenzyl)-5,6,11,11a-tetrahydrooxazolo[3',4':1,6]pyrido[3,4-b]indol-3(1H)-one
CID 118103552
(S)-6-(4-fluorobenzyl)-5,6,11,11a-tetrahydrooxazolo[3',4':1,6]pyrido[3,4-b]indol-3(1H)-one
CID 122513057
9,9'-Diethyl-9H,9'H-3,3'-bicarbazole
CID 12218945
N-{[2-(4-Fluorophenyl)-3-methyl-1H-indol-5-YL]methyl}-2-(2-oxo-1,3-oxazolidin-3-YL)acetamide
CID 70782520
3-[3-(3,6-Difluorocarbazol-9-yl)-2-hydroxypropyl]-1,3-oxazinan-2-one
CID 145966896
3-[3-(3,6-Difluorocarbazol-9-yl)-2-hydroxypropyl]-1,3-oxazolidin-2-one
CID 145977371
ethyl 8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
CID 12629899
7-Fluoro-4-(p-fluorophenyl)-2-carbethoxy1,2,3,4-tetrahydropyrrolo[3,4-b]indole
CID 12649781
2-Carbethoxy-8-m-tolyl-5-n-octyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 90016647

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2S)-2-fluoro-2-phenyl-1-(9-phenylcarbazol-3-yl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1R,2S)-2-fluoro-2-phenyl-1-(9-phenylcarbazol-3-yl)ethyl]-1,3-oxazolidin-2-one (CID 162406454) is 3-[(1R,2S)-2-fluoro-2-phenyl-1-(9-phenylcarbazol-3-yl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1R,2S)-2-fluoro-2-phenyl-1-(9-phenylcarbazol-3-yl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1R,2S)-2-fluoro-2-phenyl-1-(9-phenylcarbazol-3-yl)ethyl]-1,3-oxazolidin-2-one is O=C1OCCN1[C@H](c1ccc2c(c1)c1ccccc1n2-c1ccccc1)[C@@H](F)c1ccccc1.
What is the InChIKey of 3-[(1R,2S)-2-fluoro-2-phenyl-1-(9-phenylcarbazol-3-yl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is KZORYIRMTXCQCB-WUFINQPMSA-N. The full InChI is InChI=1S/C29H23FN2O2/c30-27(20-9-3-1-4-10-20)28(31-17-18-34-29(31)33)21-15-16-26-24(19-21)23-13-7-8-14-25(23)32(26)22-11-5-2-6-12-22/h1-16,19,27-28H,17-18H2/t27-,28+/m0/s1.
What are the key properties of 3-[(1R,2S)-2-fluoro-2-phenyl-1-(9-phenylcarbazol-3-yl)ethyl]-1,3-oxazolidin-2-one?
3-[(1R,2S)-2-fluoro-2-phenyl-1-(9-phenylcarbazol-3-yl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 450.51 g/mol, XLogP of 6.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2S)-2-fluoro-2-phenyl-1-(9-phenylcarbazol-3-yl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 162406454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).