N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(6-methoxy-3-pyridinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

C29H25F4N3O5 — CID 118957784

IUPACN-[(4-fluorophenyl)methyl]-2-[(3R)-6-(6-methoxy-3-pyridinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESCOc1ccc(-c2ccc3c(c2)CC[C@@]32OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C)C(F)(F)F)C2=O)cn1
InChIInChI=1S/C29H25F4N3O5/c1-17(29(31,32)33)35(15-18-3-7-22(30)8-4-18)25(37)16-36-26(38)28(41-27(36)39)12-11-20-13-19(5-9-23(20)28)21-6-10-24(40-2)34-14-21/h3-10,13-14,17H,11-12,15-16H2,1-2H3/t17-,28+/m0/s1
InChIKeyOILACWMLSAQQAV-YMGMXPECSA-N
MW571.53 g/mol
LogP5.00
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(6-methoxy-3-pyridinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(6-methoxy-3-pyridinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (PubChem CID 118957784) has the molecular formula C29H25F4N3O5 and a molecular weight of 571.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(6-methoxy-3-pyridinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(3R)-6-(6-methoxy-3-pyridinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
PubChem CID118957784
Molecular FormulaC29H25F4N3O5
Molecular Weight571.53 g/mol
Exact Mass571.17
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(3R)-6-(6-methoxy-3-pyridinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESCOc1ccc(-c2ccc3c(c2)CC[C@@]32OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C)C(F)(F)F)C2=O)cn1
InChIInChI=1S/C29H25F4N3O5/c1-17(29(31,32)33)35(15-18-3-7-22(30)8-4-18)25(37)16-36-26(38)28(41-27(36)39)12-11-20-13-19(5-9-23(20)28)21-6-10-24(40-2)34-14-21/h3-10,13-14,17H,11-12,15-16H2,1-2H3/t17-,28+/m0/s1
InChIKeyOILACWMLSAQQAV-YMGMXPECSA-N
XLogP5.00
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.53
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(6-methoxy-3-pyridinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(6-methoxy-3-pyridinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(6-methoxy-3-pyridinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (CID 118957784) is N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(6-methoxy-3-pyridinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(6-methoxy-3-pyridinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(6-methoxy-3-pyridinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is COc1ccc(-c2ccc3c(c2)CC[C@@]32OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C)C(F)(F)F)C2=O)cn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(6-methoxy-3-pyridinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The InChIKey is OILACWMLSAQQAV-YMGMXPECSA-N. The full InChI is InChI=1S/C29H25F4N3O5/c1-17(29(31,32)33)35(15-18-3-7-22(30)8-4-18)25(37)16-36-26(38)28(41-27(36)39)12-11-20-13-19(5-9-23(20)28)21-6-10-24(40-2)34-14-21/h3-10,13-14,17H,11-12,15-16H2,1-2H3/t17-,28+/m0/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(6-methoxy-3-pyridinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(6-methoxy-3-pyridinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide has a molecular weight of 571.53 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(6-methoxy-3-pyridinyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is sourced from PubChem (CID 118957784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).