N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide

C18H22N4O4 — CID 27486360

IUPACN'-(5-methyl-1,2-oxazol-3-yl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
SMILESCc1cc(NC(=O)C(=O)NCCN2CCO[C@@H](c3ccccc3)C2)no1
InChIInChI=1S/C18H22N4O4/c1-13-11-16(21-26-13)20-18(24)17(23)19-7-8-22-9-10-25-15(12-22)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,19,23)(H,20,21,24)/t15-/m1/s1
InChIKeyZSVANJSQGLUPNF-OAHLLOKOSA-N
MW358.40 g/mol
LogP1.11
Rot. Bonds5

About N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide

N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide (PubChem CID 27486360) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(5-methyl-1,2-oxazol-3-yl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
PubChem CID27486360
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN'-(5-methyl-1,2-oxazol-3-yl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
SMILESCc1cc(NC(=O)C(=O)NCCN2CCO[C@@H](c3ccccc3)C2)no1
InChIInChI=1S/C18H22N4O4/c1-13-11-16(21-26-13)20-18(24)17(23)19-7-8-22-9-10-25-15(12-22)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,19,23)(H,20,21,24)/t15-/m1/s1
InChIKeyZSVANJSQGLUPNF-OAHLLOKOSA-N
XLogP1.11
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.11
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'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylethyl)oxamide
CID 18588555
N'-(2-methoxy-5-methylphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27487199
N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 27463009
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27557975
N'-cyclopentyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide
CID 16892936
N'-(5-chloro-2-methoxyphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27443785
N'-cyclohexyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27557907
N'-(2-methylsulfanylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16893134
N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide
CID 27532480
N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide
CID 27557843
methyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate
CID 16893069
N'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide
CID 27557681

Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide?
The IUPAC name of N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide (CID 27486360) is N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide.
What is the SMILES notation for N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide?
The canonical SMILES for N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide is Cc1cc(NC(=O)C(=O)NCCN2CCO[C@@H](c3ccccc3)C2)no1.
What is the InChIKey of N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide?
The InChIKey is ZSVANJSQGLUPNF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-13-11-16(21-26-13)20-18(24)17(23)19-7-8-22-9-10-25-15(12-22)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,19,23)(H,20,21,24)/t15-/m1/s1.
What are the key properties of N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide?
N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide has a molecular weight of 358.40 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide is sourced from PubChem (CID 27486360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).