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

C16H16N4O2S — CID 750680

IUPAC5-methyl-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C16H16N4O2S/c1-9(2)15-18-19-16(23-15)17-14(21)12-10(3)22-20-13(12)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,17,19,21)
InChIKeyCECAQXSVKDGUBM-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.88
Rot. Bonds4

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

5-methyl-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 750680) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID750680
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name5-methyl-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C16H16N4O2S/c1-9(2)15-18-19-16(23-15)17-14(21)12-10(3)22-20-13(12)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,17,19,21)
InChIKeyCECAQXSVKDGUBM-UHFFFAOYSA-N
XLogP3.88
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide (CID 750680) is 5-methyl-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C(C)C)s1.
What is the InChIKey of 5-methyl-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is CECAQXSVKDGUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-9(2)15-18-19-16(23-15)17-14(21)12-10(3)22-20-13(12)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,17,19,21).
What are the key properties of 5-methyl-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 750680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).