5-(3,4-dimethylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide

C17H18N4O2S — CID 17011674

IUPAC5-(3,4-dimethylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCCc1nnc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)s1
InChIInChI=1S/C17H18N4O2S/c1-4-5-15-19-20-17(24-15)18-16(22)13-9-14(23-21-13)12-7-6-10(2)11(3)8-12/h6-9H,4-5H2,1-3H3,(H,18,20,22)
InChIKeyPDNVJMCAEYTJNM-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.01
Rot. Bonds5

About 5-(3,4-dimethylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide

5-(3,4-dimethylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 17011674) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID17011674
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name5-(3,4-dimethylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCCc1nnc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)s1
InChIInChI=1S/C17H18N4O2S/c1-4-5-15-19-20-17(24-15)18-16(22)13-9-14(23-21-13)12-7-6-10(2)11(3)8-12/h6-9H,4-5H2,1-3H3,(H,18,20,22)
InChIKeyPDNVJMCAEYTJNM-UHFFFAOYSA-N
XLogP4.01
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-dimethylphenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17011671
N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261982
5-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17010920
N,5-bis(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 17011912
4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 154866590
2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78792564
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 34109190
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 717037
5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide
CID 155943086
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107642755
2-amino-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110485976
2-(3,4-dimethylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 43843008

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3,4-dimethylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide (CID 17011674) is 5-(3,4-dimethylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide is CCCc1nnc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)s1.
What is the InChIKey of 5-(3,4-dimethylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is PDNVJMCAEYTJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-4-5-15-19-20-17(24-15)18-16(22)13-9-14(23-21-13)12-7-6-10(2)11(3)8-12/h6-9H,4-5H2,1-3H3,(H,18,20,22).
What are the key properties of 5-(3,4-dimethylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
5-(3,4-dimethylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17011674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).