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

C19H20N4O2S — CID 1078886

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C19H20N4O2S/c1-12-15(16(23-25-12)13-8-4-2-5-9-13)17(24)20-19-22-21-18(26-19)14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3,(H,20,22,24)
InChIKeyBOFOJQBFTGZOOO-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.80
Rot. Bonds4

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

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 1078886) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID1078886
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C19H20N4O2S/c1-12-15(16(23-25-12)13-8-4-2-5-9-13)17(24)20-19-22-21-18(26-19)14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3,(H,20,22,24)
InChIKeyBOFOJQBFTGZOOO-UHFFFAOYSA-N
XLogP4.80
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 1078886) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is BOFOJQBFTGZOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-15(16(23-25-12)13-8-4-2-5-9-13)17(24)20-19-22-21-18(26-19)14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3,(H,20,22,24).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1078886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).