2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

C23H26N4O4 — CID 37216371

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCc1nc(COc2ccccc2C(=O)NCc2ccccc2CN2CCOCC2)no1
InChIInChI=1S/C23H26N4O4/c1-17-25-22(26-31-17)16-30-21-9-5-4-8-20(21)23(28)24-14-18-6-2-3-7-19(18)15-27-10-12-29-13-11-27/h2-9H,10-16H2,1H3,(H,24,28)
InChIKeyJLRQIZCEXYUGNZ-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.72
Rot. Bonds8

About 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (PubChem CID 37216371) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
PubChem CID37216371
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCc1nc(COc2ccccc2C(=O)NCc2ccccc2CN2CCOCC2)no1
InChIInChI=1S/C23H26N4O4/c1-17-25-22(26-31-17)16-30-21-9-5-4-8-20(21)23(28)24-14-18-6-2-3-7-19(18)15-27-10-12-29-13-11-27/h2-9H,10-16H2,1H3,(H,24,28)
InChIKeyJLRQIZCEXYUGNZ-UHFFFAOYSA-N
XLogP2.72
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-fluorophenyl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17494490
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 86822452
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 51075427
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 134012276
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 60557369
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 24642515
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16591688
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 43038678
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 31311912
N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 31301282
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
CID 30176317
[4-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone;hydrochloride
CID 119563137

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (CID 37216371) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is Cc1nc(COc2ccccc2C(=O)NCc2ccccc2CN2CCOCC2)no1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is JLRQIZCEXYUGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-17-25-22(26-31-17)16-30-21-9-5-4-8-20(21)23(28)24-14-18-6-2-3-7-19(18)15-27-10-12-29-13-11-27/h2-9H,10-16H2,1H3,(H,24,28).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 422.49 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 37216371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).