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

C21H18N4O2S — CID 55753809

IUPAC4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)cs1
InChIInChI=1S/C21H18N4O2S/c1-13-5-3-4-6-18(13)21-25-24-20(27-21)16-9-7-15(8-10-16)19(26)22-11-17-12-28-14(2)23-17/h3-10,12H,11H2,1-2H3,(H,22,26)
InChIKeyBZINKXIYKFCAME-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.41
Rot. Bonds5

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

4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 55753809) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID55753809
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)cs1
InChIInChI=1S/C21H18N4O2S/c1-13-5-3-4-6-18(13)21-25-24-20(27-21)16-9-7-15(8-10-16)19(26)22-11-17-12-28-14(2)23-17/h3-10,12H,11H2,1-2H3,(H,22,26)
InChIKeyBZINKXIYKFCAME-UHFFFAOYSA-N
XLogP4.41
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558457
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55561183
N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26022369
N-[[2-(ethoxymethyl)phenyl]methyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 37397820
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24607379
N-(4-methoxybutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55724605
N-[2-(diethylamino)-2-oxoethyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 48503696
N-(3-ethoxypropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 17493586
4-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319256
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide
CID 134030447
N-(3-indol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 24607685
N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (CID 55753809) is 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is Cc1nc(CNC(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)cs1.
What is the InChIKey of 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is BZINKXIYKFCAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-13-5-3-4-6-18(13)21-25-24-20(27-21)16-9-7-15(8-10-16)19(26)22-11-17-12-28-14(2)23-17/h3-10,12H,11H2,1-2H3,(H,22,26).
What are the key properties of 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 390.47 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 55753809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).