N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C17H18N4O2S — CID 831461

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C17H18N4O2S/c1-10-12(13(21-23-10)11-8-6-5-7-9-11)14(22)18-16-20-19-15(24-16)17(2,3)4/h5-9H,1-4H3,(H,18,20,22)
InChIKeyVCRXZIDXPFASAE-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.05
Rot. Bonds3

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 831461) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID831461
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C17H18N4O2S/c1-10-12(13(21-23-10)11-8-6-5-7-9-11)14(22)18-16-20-19-15(24-16)17(2,3)4/h5-9H,1-4H3,(H,18,20,22)
InChIKeyVCRXZIDXPFASAE-UHFFFAOYSA-N
XLogP4.05
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 831461) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C(C)(C)C)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is VCRXZIDXPFASAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-10-12(13(21-23-10)11-8-6-5-7-9-11)14(22)18-16-20-19-15(24-16)17(2,3)4/h5-9H,1-4H3,(H,18,20,22).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 831461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).