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

C21H18N4O3S — CID 121094244

IUPAC4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCc1csc(COc2ccc(C(=O)NCc3nc(-c4ccccc4)no3)cc2)n1
InChIInChI=1S/C21H18N4O3S/c1-14-13-29-19(23-14)12-27-17-9-7-16(8-10-17)21(26)22-11-18-24-20(25-28-18)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,22,26)
InChIKeyDKDPDOQBYFAAGS-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.01
Rot. Bonds7

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

4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 121094244) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID121094244
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Name4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCc1csc(COc2ccc(C(=O)NCc3nc(-c4ccccc4)no3)cc2)n1
InChIInChI=1S/C21H18N4O3S/c1-14-13-29-19(23-14)12-27-17-9-7-16(8-10-17)21(26)22-11-18-24-20(25-28-18)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,22,26)
InChIKeyDKDPDOQBYFAAGS-UHFFFAOYSA-N
XLogP4.01
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094285
N-[(2,6-difluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094385
4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-propylbenzamide
CID 121094272
N-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53112540
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(2-methylprop-2-enoxy)benzamide
CID 18524898
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl] acetate
CID 8894701
2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 100711700
N-[[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103259
2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 37155823
2-(3,5-dimethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 1251850
phenyl N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 110322864
4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 30029077

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 121094244) is 4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is Cc1csc(COc2ccc(C(=O)NCc3nc(-c4ccccc4)no3)cc2)n1.
What is the InChIKey of 4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is DKDPDOQBYFAAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-14-13-29-19(23-14)12-27-17-9-7-16(8-10-17)21(26)22-11-18-24-20(25-28-18)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,22,26).
What are the key properties of 4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 406.47 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 121094244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).