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

C24H26FN3O5 — CID 6482302

IUPACN-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H26FN3O5/c25-20-14-18(6-7-21(20)27-10-12-32-13-11-27)28-16-19(33-24(28)31)15-26-23(30)9-8-22(29)17-4-2-1-3-5-17/h1-7,14,19H,8-13,15-16H2,(H,26,30)/t19-/m0/s1
InChIKeyJBRPULQXWCJKLI-IBGZPJMESA-N
MW455.49 g/mol
LogP2.77
Rot. Bonds8

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

N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide (PubChem CID 6482302) has the molecular formula C24H26FN3O5 and a molecular weight of 455.49 g/mol. Its IUPAC name is N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide
PubChem CID6482302
Molecular FormulaC24H26FN3O5
Molecular Weight455.49 g/mol
Exact Mass455.19
IUPAC NameN-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H26FN3O5/c25-20-14-18(6-7-21(20)27-10-12-32-13-11-27)28-16-19(33-24(28)31)15-26-23(30)9-8-22(29)17-4-2-1-3-5-17/h1-7,14,19H,8-13,15-16H2,(H,26,30)/t19-/m0/s1
InChIKeyJBRPULQXWCJKLI-IBGZPJMESA-N
XLogP2.77
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-{[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl}benzamide
CID 9932394
3-Chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)benzamide
CID 11517577
2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 24824960
2-[(4-fluorobenzoyl)amino]-N-(3-morpholinopropyl)benzamide
CID 2812996
4-[7-[(4-Fluorophenyl)carbamoyl]-1-keto-isoindolin-2-yl]piperidine-1-carboxylic acid ethyl ester
CID 9550958
N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 764686
2-Chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)benzamide
CID 11546456
3-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 851469
2-fluoro-N-[4-(4-morpholinylmethyl)phenyl]benzamide
CID 961046
3-(dimethylamino)-N-(4-morpholin-4-ylphenyl)benzamide
CID 2092690
[2-(4-Morpholin-4-ylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2417658
3-{[4-(4-Morpholinyl)phenyl]amino}-1-phenyl-2-buten-1-one
CID 5739491

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-oxo-4-phenylbutanamide?
The IUPAC name of N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide (CID 6482302) is N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide is O=C(CCC(=O)c1ccccc1)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-oxo-4-phenylbutanamide?
The InChIKey is JBRPULQXWCJKLI-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26FN3O5/c25-20-14-18(6-7-21(20)27-10-12-32-13-11-27)28-16-19(33-24(28)31)15-26-23(30)9-8-22(29)17-4-2-1-3-5-17/h1-7,14,19H,8-13,15-16H2,(H,26,30)/t19-/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-oxo-4-phenylbutanamide?
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide has a molecular weight of 455.49 g/mol, XLogP of 2.77, 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-oxo-4-phenylbutanamide is sourced from PubChem (CID 6482302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).