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

C18H11ClN4O2S — CID 24649242

IUPAC5-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C18H11ClN4O2S/c19-13-8-6-11(7-9-13)15-10-14(23-25-15)16(24)20-18-22-21-17(26-18)12-4-2-1-3-5-12/h1-10H,(H,20,22,24)
InChIKeyPELSWXVWRLHHPU-UHFFFAOYSA-N
MW382.83 g/mol
LogP4.77
Rot. Bonds4

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

5-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 24649242) has the molecular formula C18H11ClN4O2S and a molecular weight of 382.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID24649242
Molecular FormulaC18H11ClN4O2S
Molecular Weight382.83 g/mol
Exact Mass382.03
IUPAC Name5-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C18H11ClN4O2S/c19-13-8-6-11(7-9-13)15-10-14(23-25-15)16(24)20-18-22-21-17(26-18)12-4-2-1-3-5-12/h1-10H,(H,20,22,24)
InChIKeyPELSWXVWRLHHPU-UHFFFAOYSA-N
XLogP4.77
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24649178
5-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17010920
N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261982
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43989111
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991331
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 16813777
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43989210
N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 155943148
5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 100777051
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 1246159
2-(furan-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36808320

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide (CID 24649242) is 5-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide is O=C(Nc1nnc(-c2ccccc2)s1)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is PELSWXVWRLHHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN4O2S/c19-13-8-6-11(7-9-13)15-10-14(23-25-15)16(24)20-18-22-21-17(26-18)12-4-2-1-3-5-12/h1-10H,(H,20,22,24).
What are the key properties of 5-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 382.83 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24649242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).