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

C22H19ClN4O3S — CID 55537821

IUPACN-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCc1nc(COc2ccc(C(=O)Nc3ncc(Cc4ccc(C)c(Cl)c4)s3)cc2)no1
InChIInChI=1S/C22H19ClN4O3S/c1-13-3-4-15(10-19(13)23)9-18-11-24-22(31-18)26-21(28)16-5-7-17(8-6-16)29-12-20-25-14(2)30-27-20/h3-8,10-11H,9,12H2,1-2H3,(H,24,26,28)
InChIKeySIIMZIPLJWVSEO-UHFFFAOYSA-N
MW454.94 g/mol
LogP5.22
Rot. Bonds7

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

N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (PubChem CID 55537821) has the molecular formula C22H19ClN4O3S and a molecular weight of 454.94 g/mol. Its IUPAC name is N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
PubChem CID55537821
Molecular FormulaC22H19ClN4O3S
Molecular Weight454.94 g/mol
Exact Mass454.09
IUPAC NameN-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCc1nc(COc2ccc(C(=O)Nc3ncc(Cc4ccc(C)c(Cl)c4)s3)cc2)no1
InChIInChI=1S/C22H19ClN4O3S/c1-13-3-4-15(10-19(13)23)9-18-11-24-22(31-18)26-21(28)16-5-7-17(8-6-16)29-12-20-25-14(2)30-27-20/h3-8,10-11H,9,12H2,1-2H3,(H,24,26,28)
InChIKeySIIMZIPLJWVSEO-UHFFFAOYSA-N
XLogP5.22
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.94
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The IUPAC name of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (CID 55537821) is N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.
What is the SMILES notation for N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The canonical SMILES for N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is Cc1nc(COc2ccc(C(=O)Nc3ncc(Cc4ccc(C)c(Cl)c4)s3)cc2)no1.
What is the InChIKey of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The InChIKey is SIIMZIPLJWVSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3S/c1-13-3-4-15(10-19(13)23)9-18-11-24-22(31-18)26-21(28)16-5-7-17(8-6-16)29-12-20-25-14(2)30-27-20/h3-8,10-11H,9,12H2,1-2H3,(H,24,26,28).
What are the key properties of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide has a molecular weight of 454.94 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 55537821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).