N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide

C23H21ClN4O2S — CID 71289041

IUPACN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1nc(-c2cccc(C(=O)NCC(C)(C)c3csc(-c4ccc(Cl)cc4)n3)c2)no1
InChIInChI=1S/C23H21ClN4O2S/c1-14-26-20(28-30-14)16-5-4-6-17(11-16)21(29)25-13-23(2,3)19-12-31-22(27-19)15-7-9-18(24)10-8-15/h4-12H,13H2,1-3H3,(H,25,29)
InChIKeyBUOOLOBATHKGJC-UHFFFAOYSA-N
MW452.97 g/mol
LogP5.53
Rot. Bonds6

About N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 71289041) has the molecular formula C23H21ClN4O2S and a molecular weight of 452.97 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
PubChem CID71289041
Molecular FormulaC23H21ClN4O2S
Molecular Weight452.97 g/mol
Exact Mass452.11
IUPAC NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1nc(-c2cccc(C(=O)NCC(C)(C)c3csc(-c4ccc(Cl)cc4)n3)c2)no1
InChIInChI=1S/C23H21ClN4O2S/c1-14-26-20(28-30-14)16-5-4-6-17(11-16)21(29)25-13-23(2,3)19-12-31-22(27-19)15-7-9-18(24)10-8-15/h4-12H,13H2,1-3H3,(H,25,29)
InChIKeyBUOOLOBATHKGJC-UHFFFAOYSA-N
XLogP5.53
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.97
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321553
N-(3-chlorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321558
N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321576
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanol
CID 159455674
N-(3-chloro-2-methylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50779128
[difluoro-[3-[3-[[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]carbamoyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl] thiohypofluorite
CID 164881511
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 7518338
N-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 111477761
N-[2-methyl-2-(3-phenylphenyl)propyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 67379157
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-propan-2-ylphenyl)benzamide
CID 50778928
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide
CID 71288985
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321552

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide (CID 71289041) is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide is Cc1nc(-c2cccc(C(=O)NCC(C)(C)c3csc(-c4ccc(Cl)cc4)n3)c2)no1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is BUOOLOBATHKGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2S/c1-14-26-20(28-30-14)16-5-4-6-17(11-16)21(29)25-13-23(2,3)19-12-31-22(27-19)15-7-9-18(24)10-8-15/h4-12H,13H2,1-3H3,(H,25,29).
What are the key properties of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 452.97 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 71289041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).