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

C22H20N4O3S — CID 30176317

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
SMILESCc1nc(COc2ccccc2C(=O)NCc2ccc(-c3csc(C)n3)cc2)no1
InChIInChI=1S/C22H20N4O3S/c1-14-24-21(26-29-14)12-28-20-6-4-3-5-18(20)22(27)23-11-16-7-9-17(10-8-16)19-13-30-15(2)25-19/h3-10,13H,11-12H2,1-2H3,(H,23,27)
InChIKeyOJEOGVSPXLWMQD-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.32
Rot. Bonds7

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

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide (PubChem CID 30176317) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
PubChem CID30176317
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
SMILESCc1nc(COc2ccccc2C(=O)NCc2ccc(-c3csc(C)n3)cc2)no1
InChIInChI=1S/C22H20N4O3S/c1-14-24-21(26-29-14)12-28-20-6-4-3-5-18(20)22(27)23-11-16-7-9-17(10-8-16)19-13-30-15(2)25-19/h3-10,13H,11-12H2,1-2H3,(H,23,27)
InChIKeyOJEOGVSPXLWMQD-UHFFFAOYSA-N
XLogP4.32
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16592556
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide
CID 43039863
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)methylsulfanyl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55530450
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 51075427
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 134012297
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 134012276
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 31311912
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 37216371
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 24642515
2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]butanoic acid
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N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 31301282

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide (CID 30176317) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide is Cc1nc(COc2ccccc2C(=O)NCc2ccc(-c3csc(C)n3)cc2)no1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide?
The InChIKey is OJEOGVSPXLWMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-14-24-21(26-29-14)12-28-20-6-4-3-5-18(20)22(27)23-11-16-7-9-17(10-8-16)19-13-30-15(2)25-19/h3-10,13H,11-12H2,1-2H3,(H,23,27).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide has a molecular weight of 420.49 g/mol, XLogP of 4.32, 7 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-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 30176317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).