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

C19H13N5O4S — CID 39040887

IUPACN-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide
SMILESCc1nc(NC(=O)c2cccc([N+](=O)[O-])c2)sc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H13N5O4S/c1-11-15(18-21-16(23-28-18)12-6-3-2-4-7-12)29-19(20-11)22-17(25)13-8-5-9-14(10-13)24(26)27/h2-10H,1H3,(H,20,22,25)
InChIKeyGXLZMSGHRYLMRO-UHFFFAOYSA-N
MW407.41 g/mol
LogP4.33
Rot. Bonds5

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

N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide (PubChem CID 39040887) has the molecular formula C19H13N5O4S and a molecular weight of 407.41 g/mol. Its IUPAC name is N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide
PubChem CID39040887
Molecular FormulaC19H13N5O4S
Molecular Weight407.41 g/mol
Exact Mass407.07
IUPAC NameN-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide
SMILESCc1nc(NC(=O)c2cccc([N+](=O)[O-])c2)sc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H13N5O4S/c1-11-15(18-21-16(23-28-18)12-6-3-2-4-7-12)29-19(20-11)22-17(25)13-8-5-9-14(10-13)24(26)27/h2-10H,1H3,(H,20,22,25)
InChIKeyGXLZMSGHRYLMRO-UHFFFAOYSA-N
XLogP4.33
TPSA124.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-bromo-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 39040541
3,4,5-trimethoxy-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 39041216
N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39042983
4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 39042536
2-(methylamino)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide
CID 37201234
N-[4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 46265245
1-benzyl-3-[4-methyl-5-(3-nitrophenyl)-1,3-thiazol-2-yl]urea
CID 18322909
N-[4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 50754591
N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
CID 872142
N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 39043081
N-[4-(4-fluorophenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 126058063
3-nitro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866509

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide?
The IUPAC name of N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide (CID 39040887) is N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide.
What is the SMILES notation for N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide?
The canonical SMILES for N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide is Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2)sc1-c1nc(-c2ccccc2)no1.
What is the InChIKey of N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide?
The InChIKey is GXLZMSGHRYLMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O4S/c1-11-15(18-21-16(23-28-18)12-6-3-2-4-7-12)29-19(20-11)22-17(25)13-8-5-9-14(10-13)24(26)27/h2-10H,1H3,(H,20,22,25).
What are the key properties of N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide?
N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide has a molecular weight of 407.41 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide is sourced from PubChem (CID 39040887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).