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

C23H22N4O2S — CID 56558457

IUPAC4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)NCc3csc(C(C)C)n3)cc2)o1
InChIInChI=1S/C23H22N4O2S/c1-14(2)23-25-18(13-30-23)12-24-20(28)16-8-10-17(11-9-16)21-26-27-22(29-21)19-7-5-4-6-15(19)3/h4-11,13-14H,12H2,1-3H3,(H,24,28)
InChIKeyWYPJVXRKOWGELN-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.22
Rot. Bonds6

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

4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 56558457) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID56558457
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)NCc3csc(C(C)C)n3)cc2)o1
InChIInChI=1S/C23H22N4O2S/c1-14(2)23-25-18(13-30-23)12-24-20(28)16-8-10-17(11-9-16)21-26-27-22(29-21)19-7-5-4-6-15(19)3/h4-11,13-14H,12H2,1-3H3,(H,24,28)
InChIKeyWYPJVXRKOWGELN-UHFFFAOYSA-N
XLogP5.22
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.22
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-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55753809
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728056
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
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-(1-methoxypropan-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18289547
N-[2-(diethylamino)-2-oxoethyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 48503696
N-(4-methoxybutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55724605
4-propan-2-ylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557906
N-(3-ethoxypropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 17493586

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide (CID 56558457) is 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-propan-2-yl-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-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide is Cc1ccccc1-c1nnc(-c2ccc(C(=O)NCc3csc(C(C)C)n3)cc2)o1.
What is the InChIKey of 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is WYPJVXRKOWGELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-14(2)23-25-18(13-30-23)12-24-20(28)16-8-10-17(11-9-16)21-26-27-22(29-21)19-7-5-4-6-15(19)3/h4-11,13-14H,12H2,1-3H3,(H,24,28).
What are the key properties of 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 418.52 g/mol, XLogP of 5.22, 6 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-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 56558457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).