N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide

C19H25ClN4O5 — CID 12005833

IUPACN'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESO=C(NCCN1CCOCC1)C(=O)NCC1OCCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN4O5/c20-15-3-1-14(2-4-15)19(27)24-9-12-29-16(24)13-22-18(26)17(25)21-5-6-23-7-10-28-11-8-23/h1-4,16H,5-13H2,(H,21,25)(H,22,26)
InChIKeyXIMKEWKKERYSEO-UHFFFAOYSA-N
MW424.89 g/mol
LogP-0.30
Rot. Bonds6

About N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide

N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide (PubChem CID 12005833) has the molecular formula C19H25ClN4O5 and a molecular weight of 424.89 g/mol. Its IUPAC name is N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
PubChem CID12005833
Molecular FormulaC19H25ClN4O5
Molecular Weight424.89 g/mol
Exact Mass424.15
IUPAC NameN'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESO=C(NCCN1CCOCC1)C(=O)NCC1OCCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN4O5/c20-15-3-1-14(2-4-15)19(27)24-9-12-29-16(24)13-22-18(26)17(25)21-5-6-23-7-10-28-11-8-23/h1-4,16H,5-13H2,(H,21,25)(H,22,26)
InChIKeyXIMKEWKKERYSEO-UHFFFAOYSA-N
XLogP-0.30
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[[(2R)-3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 7196105
N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 16807574
N'-[[(2S)-3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 30469604
(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073693
4-[(4-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 48581606
N'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 30469598
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 108984345
N'-[(4-chlorophenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide
CID 12005904
N'-[(4-chlorophenyl)methyl]-N-[[(2S)-3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide
CID 7196205
N-(2-morpholin-4-ylethyl)-2-oxo-2-phenylacetamide
CID 94274550
N-(2-morpholin-4-ylethyl)-N'-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 30469611
1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 30532268

Frequently Asked Questions

What is the IUPAC name of N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide (CID 12005833) is N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide is O=C(NCCN1CCOCC1)C(=O)NCC1OCCN1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is XIMKEWKKERYSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O5/c20-15-3-1-14(2-4-15)19(27)24-9-12-29-16(24)13-22-18(26)17(25)21-5-6-23-7-10-28-11-8-23/h1-4,16H,5-13H2,(H,21,25)(H,22,26).
What are the key properties of N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide?
N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 424.89 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 12005833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).