N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide

C28H28FN3O5 — CID 6482308

IUPACN-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2ccccc2c1)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C28H28FN3O5/c29-24-16-22(7-8-25(24)31-11-13-36-14-12-31)32-18-23(37-28(32)35)17-30-27(34)10-9-26(33)21-6-5-19-3-1-2-4-20(19)15-21/h1-8,15-16,23H,9-14,17-18H2,(H,30,34)/t23-/m0/s1
InChIKeyDTEJAUFQHTYBCK-QHCPKHFHSA-N
MW505.55 g/mol
LogP3.92
Rot. Bonds8

About N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide

N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide (PubChem CID 6482308) has the molecular formula C28H28FN3O5 and a molecular weight of 505.55 g/mol. Its IUPAC name is N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide
PubChem CID6482308
Molecular FormulaC28H28FN3O5
Molecular Weight505.55 g/mol
Exact Mass505.20
IUPAC NameN-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2ccccc2c1)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C28H28FN3O5/c29-24-16-22(7-8-25(24)31-11-13-36-14-12-31)32-18-23(37-28(32)35)17-30-27(34)10-9-26(33)21-6-5-19-3-1-2-4-20(19)15-21/h1-8,15-16,23H,9-14,17-18H2,(H,30,34)/t23-/m0/s1
InChIKeyDTEJAUFQHTYBCK-QHCPKHFHSA-N
XLogP3.92
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.55
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide 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

N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-2-carboxamide
CID 851464
[3-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylcarbamoyl]phenyl]boronic acid
CID 164610442
[4-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylcarbamoyl]phenyl]boronic acid
CID 164621959
N-[4-(4-morpholinyl)phenyl]-1-naphthamide
CID 790963
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate
CID 24686206
N-[[(5S)-3-[3-fluoro-4-[4-[(E)-4-oxo-4-phenylbut-2-enoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10239097
N-((S)-3-{4-[(Z)-2-(3-Acetyl-phenyl)-2-fluoro-vinyl]-3-fluoro-phenyl}-2-oxo-oxazolidin-5-ylmethyl)-acetamide
CID 10295264
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 90139595
(S)-N-[[3-(3-fluoro-4-morpholinylphenyl)-2-oxo-5-oxazolidinyl]methyl]-4-oxo-4-phenylbutanamide
CID 6482302
(S)-N-[[3-(3-fluoro-4-morpholinylphenyl)-2-oxo-5-oxazolidinyl]methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 6482303
(S)-N-[[3-(3-fluoro-4-thiomorpholinylphenyl)-2-oxo-5-oxazolidinyl]methyl]-4-oxo-4-phenylbutanamide
CID 6482304
(S)-N-[[3-(3-fluoro-4-morpholinylphenyl)-2-oxo-5-oxazolidinyl]methyl]4-(2,4-difluorophenyl)-4-oxobutanamide
CID 6482310

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide?
The IUPAC name of N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide (CID 6482308) is N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide.
What is the SMILES notation for N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide?
The canonical SMILES for N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide is O=C(CCC(=O)c1ccc2ccccc2c1)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide?
The InChIKey is DTEJAUFQHTYBCK-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H28FN3O5/c29-24-16-22(7-8-25(24)31-11-13-36-14-12-31)32-18-23(37-28(32)35)17-30-27(34)10-9-26(33)21-6-5-19-3-1-2-4-20(19)15-21/h1-8,15-16,23H,9-14,17-18H2,(H,30,34)/t23-/m0/s1.
What are the key properties of N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide?
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide has a molecular weight of 505.55 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide is sourced from PubChem (CID 6482308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).