3-(2,6-dichlorophenyl)-5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide

C19H12Cl2N4O2S — CID 55571661

IUPAC3-(2,6-dichlorophenyl)-5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C19H12Cl2N4O2S/c1-10-14(16(25-27-10)15-12(20)8-5-9-13(15)21)17(26)22-19-24-23-18(28-19)11-6-3-2-4-7-11/h2-9H,1H3,(H,22,24,26)
InChIKeyVYLADGYQYFXWKT-UHFFFAOYSA-N
MW431.30 g/mol
LogP5.73
Rot. Bonds4

About 3-(2,6-dichlorophenyl)-5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide

3-(2,6-dichlorophenyl)-5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 55571661) has the molecular formula C19H12Cl2N4O2S and a molecular weight of 431.30 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID55571661
Molecular FormulaC19H12Cl2N4O2S
Molecular Weight431.30 g/mol
Exact Mass430.01
IUPAC Name3-(2,6-dichlorophenyl)-5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C19H12Cl2N4O2S/c1-10-14(16(25-27-10)15-12(20)8-5-9-13(15)21)17(26)22-19-24-23-18(28-19)11-6-3-2-4-7-11/h2-9H,1H3,(H,22,24,26)
InChIKeyVYLADGYQYFXWKT-UHFFFAOYSA-N
XLogP5.73
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.30
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,6-dichlorophenyl)-5-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1,2-oxazole-4-carboxamide
CID 31825313
3-(2-chlorophenyl)-5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 3384885
N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2104842
3-(2,6-dichlorophenyl)-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-4-carboxamide
CID 5070431
3-(2,6-dichlorophenyl)-N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1008270
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone
CID 2805168
3-(2-chlorophenyl)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 78792357
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2127353
N-(4-acetylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1118276
3-(2-chlorophenyl)-5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 1303357
N-(3-chloro-2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26897303
ethyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-phenylthiophene-3-carboxylate
CID 4116985

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide (CID 55571661) is 3-(2,6-dichlorophenyl)-5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is VYLADGYQYFXWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N4O2S/c1-10-14(16(25-27-10)15-12(20)8-5-9-13(15)21)17(26)22-19-24-23-18(28-19)11-6-3-2-4-7-11/h2-9H,1H3,(H,22,24,26).
What are the key properties of 3-(2,6-dichlorophenyl)-5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
3-(2,6-dichlorophenyl)-5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 431.30 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 55571661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).