N-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide

C17H21ClN4O3 — CID 72886432

IUPACN-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide
SMILESCCc1nc(CC2CN(C(=O)Nc3c(C)cccc3Cl)CCO2)no1
InChIInChI=1S/C17H21ClN4O3/c1-3-15-19-14(21-25-15)9-12-10-22(7-8-24-12)17(23)20-16-11(2)5-4-6-13(16)18/h4-6,12H,3,7-10H2,1-2H3,(H,20,23)
InChIKeyUHTGAURTWHUFIY-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.07
Rot. Bonds4

About N-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide

N-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide (PubChem CID 72886432) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide
PubChem CID72886432
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide
SMILESCCc1nc(CC2CN(C(=O)Nc3c(C)cccc3Cl)CCO2)no1
InChIInChI=1S/C17H21ClN4O3/c1-3-15-19-14(21-25-15)9-12-10-22(7-8-24-12)17(23)20-16-11(2)5-4-6-13(16)18/h4-6,12H,3,7-10H2,1-2H3,(H,20,23)
InChIKeyUHTGAURTWHUFIY-UHFFFAOYSA-N
XLogP3.07
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide
CID 97276864
(2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide
CID 97272782
(2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluoro-3-methoxyphenyl)morpholine-4-carboxamide
CID 97284024
N-(2-chloro-6-methylphenyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 75509283
2-(4-chlorophenyl)-N-(2-ethyl-6-methylphenyl)morpholine-4-carboxamide
CID 87034912
(3R)-N-(2-chloro-6-methylphenyl)-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 99634516
N-(2-chloro-6-methylphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 72916410
3-[2-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 72845068
(3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 124628067
(2S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 126447140
2-[(2-chlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 69073211
(5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99633932

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide (CID 72886432) is N-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide is CCc1nc(CC2CN(C(=O)Nc3c(C)cccc3Cl)CCO2)no1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide?
The InChIKey is UHTGAURTWHUFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3/c1-3-15-19-14(21-25-15)9-12-10-22(7-8-24-12)17(23)20-16-11(2)5-4-6-13(16)18/h4-6,12H,3,7-10H2,1-2H3,(H,20,23).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide has a molecular weight of 364.83 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 72886432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).