5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide

C17H18N4O2S — CID 697629

IUPAC5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C17H18N4O2S/c1-10(2)9-13-19-20-17(24-13)18-16(22)14-11(3)23-21-15(14)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,18,20,22)
InChIKeyGDHGPMIRZHCINK-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.95
Rot. Bonds5

About 5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide

5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 697629) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID697629
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C17H18N4O2S/c1-10(2)9-13-19-20-17(24-13)18-16(22)14-11(3)23-21-15(14)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,18,20,22)
InChIKeyGDHGPMIRZHCINK-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide (CID 697629) is 5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(CC(C)C)s1.
What is the InChIKey of 5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is GDHGPMIRZHCINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-10(2)9-13-19-20-17(24-13)18-16(22)14-11(3)23-21-15(14)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,18,20,22).
What are the key properties of 5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 697629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).