N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

C17H20N4O4 — CID 171359208

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCCc1nc(CN(C)C(=O)C2OCC(=O)NC2c2ccccc2)no1
InChIInChI=1S/C17H20N4O4/c1-3-14-18-12(20-25-14)9-21(2)17(23)16-15(19-13(22)10-24-16)11-7-5-4-6-8-11/h4-8,15-16H,3,9-10H2,1-2H3,(H,19,22)
InChIKeyYSXKQDVDQXUSGI-UHFFFAOYSA-N
MW344.37 g/mol
LogP0.85
Rot. Bonds5

About N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 171359208) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID171359208
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCCc1nc(CN(C)C(=O)C2OCC(=O)NC2c2ccccc2)no1
InChIInChI=1S/C17H20N4O4/c1-3-14-18-12(20-25-14)9-21(2)17(23)16-15(19-13(22)10-24-16)11-7-5-4-6-8-11/h4-8,15-16H,3,9-10H2,1-2H3,(H,19,22)
InChIKeyYSXKQDVDQXUSGI-UHFFFAOYSA-N
XLogP0.85
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134713224
(2S,3R)-N-butyl-N-[(2-methylphenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134703136
(2S,3R)-N-benzyl-N-(cyclopropylmethyl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134704571
(2S,3R)-N-methyl-5-oxo-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)morpholine-2-carboxamide
CID 134706737
(2S,3R,8R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
CID 163315077
(2S,3R)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134711226
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)acetamide
CID 72845145
(5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134704890
(3R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95190660
(2S,3R)-N-butyl-N-cycloheptyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134697254
N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 100702382
1-cyclopropyl-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide
CID 172655430

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (CID 171359208) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is CCc1nc(CN(C)C(=O)C2OCC(=O)NC2c2ccccc2)no1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is YSXKQDVDQXUSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-3-14-18-12(20-25-14)9-21(2)17(23)16-15(19-13(22)10-24-16)11-7-5-4-6-8-11/h4-8,15-16H,3,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 171359208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).