N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide

C23H14ClN3O2S — CID 155943148

IUPACN-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C23H14ClN3O2S/c24-16-10-8-14(9-11-16)20-13-19(27-29-20)22(28)25-17-5-3-4-15(12-17)23-26-18-6-1-2-7-21(18)30-23/h1-13H,(H,25,28)
InChIKeyVWCPVOFRSMBQSV-UHFFFAOYSA-N
MW431.90 g/mol
LogP6.52
Rot. Bonds4

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

N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 155943148) has the molecular formula C23H14ClN3O2S and a molecular weight of 431.90 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID155943148
Molecular FormulaC23H14ClN3O2S
Molecular Weight431.90 g/mol
Exact Mass431.05
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C23H14ClN3O2S/c24-16-10-8-14(9-11-16)20-13-19(27-29-20)22(28)25-17-5-3-4-15(12-17)23-26-18-6-1-2-7-21(18)30-23/h1-13H,(H,25,28)
InChIKeyVWCPVOFRSMBQSV-UHFFFAOYSA-N
XLogP6.52
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.90
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-6-iodobenzamide
CID 70815255
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 5067994
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 3953542
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-tert-butylbenzamide
CID 2303166
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(3-chlorophenyl)urea
CID 46381124
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chlorobenzenesulfonamide
CID 1255601
5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide
CID 31776990
N-[3-(1,3-benzothiazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 2290422
3-amino-N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide
CID 34290939
N-(3-hydroxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093722
5-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 24649242
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 9456512

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide (CID 155943148) is N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide is O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is VWCPVOFRSMBQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClN3O2S/c24-16-10-8-14(9-11-16)20-13-19(27-29-20)22(28)25-17-5-3-4-15(12-17)23-26-18-6-1-2-7-21(18)30-23/h1-13H,(H,25,28).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 431.90 g/mol, XLogP of 6.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155943148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).