3-methoxy-N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide

C24H26N4O5 — CID 50817892

IUPAC3-methoxy-N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
SMILESCOc1cccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C24H26N4O5/c1-27(23(29)19-4-3-5-20(16-19)31-2)11-10-21-25-22(33-26-21)17-6-8-18(9-7-17)24(30)28-12-14-32-15-13-28/h3-9,16H,10-15H2,1-2H3
InChIKeyFSTCGWCEFAIILM-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.53
Rot. Bonds7

About 3-methoxy-N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide

3-methoxy-N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide (PubChem CID 50817892) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
PubChem CID50817892
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name3-methoxy-N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
SMILESCOc1cccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C24H26N4O5/c1-27(23(29)19-4-3-5-20(16-19)31-2)11-10-21-25-22(33-26-21)17-6-8-18(9-7-17)24(30)28-12-14-32-15-13-28/h3-9,16H,10-15H2,1-2H3
InChIKeyFSTCGWCEFAIILM-UHFFFAOYSA-N
XLogP2.53
TPSA98.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 46376822
N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]cyclobutanecarboxamide
CID 50817960
3-(2,3-dimethylphenyl)-1-methyl-1-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 50828475
3-[(2S)-butan-2-yl]-1-methyl-1-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 92895766
3-(4-chlorophenyl)-1-methyl-1-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 50826749
3-(2-ethoxyphenyl)-1-methyl-1-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 50828458
N,3-dimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055616
[4-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 166253912
N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N,3-dimethylbenzamide
CID 53055748
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055634
N-methyl-N-[2-[5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]cyclohexanecarboxamide
CID 50817846
3-chloro-N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 53055744

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide (CID 50817892) is 3-methoxy-N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide is COc1cccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)N4CCOCC4)cc3)n2)c1.
What is the InChIKey of 3-methoxy-N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The InChIKey is FSTCGWCEFAIILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-27(23(29)19-4-3-5-20(16-19)31-2)11-10-21-25-22(33-26-21)17-6-8-18(9-7-17)24(30)28-12-14-32-15-13-28/h3-9,16H,10-15H2,1-2H3.
What are the key properties of 3-methoxy-N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
3-methoxy-N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide has a molecular weight of 450.50 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide is sourced from PubChem (CID 50817892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).