2-[[(4R,5S)-4-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxylic acid

C24H29FN2O5 — CID 59799842

IUPAC2-[[(4R,5S)-4-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1[C@H](Cc2ccccc2F)[C@H](Cc2ncccc2C(=O)O)OC1(C)C
InChIInChI=1S/C24H29FN2O5/c1-23(2,3)32-22(30)27-19(13-15-9-6-7-11-17(15)25)20(31-24(27,4)5)14-18-16(21(28)29)10-8-12-26-18/h6-12,19-20H,13-14H2,1-5H3,(H,28,29)/t19-,20+/m1/s1
InChIKeyJZROTEAWSQNONB-UXHICEINSA-N
MW444.50 g/mol
LogP4.44
Rot. Bonds5

About 2-[[(4R,5S)-4-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxylic acid

2-[[(4R,5S)-4-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 59799842) has the molecular formula C24H29FN2O5 and a molecular weight of 444.50 g/mol. Its IUPAC name is 2-[[(4R,5S)-4-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(4R,5S)-4-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxylic acid
PubChem CID59799842
Molecular FormulaC24H29FN2O5
Molecular Weight444.50 g/mol
Exact Mass444.21
IUPAC Name2-[[(4R,5S)-4-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1[C@H](Cc2ccccc2F)[C@H](Cc2ncccc2C(=O)O)OC1(C)C
InChIInChI=1S/C24H29FN2O5/c1-23(2,3)32-22(30)27-19(13-15-9-6-7-11-17(15)25)20(31-24(27,4)5)14-18-16(21(28)29)10-8-12-26-18/h6-12,19-20H,13-14H2,1-5H3,(H,28,29)/t19-,20+/m1/s1
InChIKeyJZROTEAWSQNONB-UXHICEINSA-N
XLogP4.44
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(4R,5S)-4-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxylic acid 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

CID 168273367
CID 168273367
CID 86730349
CID 86730349
CID 118747011
CID 118747011
CID 168291890
CID 168291890
CID 95807047
CID 95807047
CID 118747010
CID 118747010
CID 10200204
CID 10200204
CID 58768988
CID 58768988
CID 58992788
CID 58992788
CID 59925901
CID 59925901
CID 59925920
CID 59925920
CID 66638711
CID 66638711

Frequently Asked Questions

What is the IUPAC name of 2-[[(4R,5S)-4-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[(4R,5S)-4-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxylic acid (CID 59799842) is 2-[[(4R,5S)-4-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[(4R,5S)-4-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[(4R,5S)-4-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)N1[C@H](Cc2ccccc2F)[C@H](Cc2ncccc2C(=O)O)OC1(C)C.
What is the InChIKey of 2-[[(4R,5S)-4-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is JZROTEAWSQNONB-UXHICEINSA-N. The full InChI is InChI=1S/C24H29FN2O5/c1-23(2,3)32-22(30)27-19(13-15-9-6-7-11-17(15)25)20(31-24(27,4)5)14-18-16(21(28)29)10-8-12-26-18/h6-12,19-20H,13-14H2,1-5H3,(H,28,29)/t19-,20+/m1/s1.
What are the key properties of 2-[[(4R,5S)-4-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxylic acid?
2-[[(4R,5S)-4-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 444.50 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R,5S)-4-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 59799842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).