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

C21H19N5O2S — CID 5308774

IUPACN-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1nnc(N(C)Cc2ccccc2)s1
InChIInChI=1S/C21H19N5O2S/c1-14-17(18(25-28-14)16-11-7-4-8-12-16)19(27)22-20-23-24-21(29-20)26(2)13-15-9-5-3-6-10-15/h3-12H,13H2,1-2H3,(H,22,23,27)
InChIKeyYMSXBNHVSWFGAV-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.39
Rot. Bonds6

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

N-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 5308774) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID5308774
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC NameN-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1nnc(N(C)Cc2ccccc2)s1
InChIInChI=1S/C21H19N5O2S/c1-14-17(18(25-28-14)16-11-7-4-8-12-16)19(27)22-20-23-24-21(29-20)26(2)13-15-9-5-3-6-10-15/h3-12H,13H2,1-2H3,(H,22,23,27)
InChIKeyYMSXBNHVSWFGAV-UHFFFAOYSA-N
XLogP4.39
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 5308774) is N-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(N(C)Cc2ccccc2)s1.
What is the InChIKey of N-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is YMSXBNHVSWFGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-14-17(18(25-28-14)16-11-7-4-8-12-16)19(27)22-20-23-24-21(29-20)26(2)13-15-9-5-3-6-10-15/h3-12H,13H2,1-2H3,(H,22,23,27).
What are the key properties of N-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 5308774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).