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

C25H24N4O3S — CID 71288985

IUPAC3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide
SMILESCc1nc(-c2cccc(C(=O)NCC3(c4nc(-c5ccccc5)cs4)CCOCC3)c2)no1
InChIInChI=1S/C25H24N4O3S/c1-17-27-22(29-32-17)19-8-5-9-20(14-19)23(30)26-16-25(10-12-31-13-11-25)24-28-21(15-33-24)18-6-3-2-4-7-18/h2-9,14-15H,10-13,16H2,1H3,(H,26,30)
InChIKeyHJSISELVVOUMQO-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.65
Rot. Bonds6

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

3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide (PubChem CID 71288985) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide
PubChem CID71288985
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide
SMILESCc1nc(-c2cccc(C(=O)NCC3(c4nc(-c5ccccc5)cs4)CCOCC3)c2)no1
InChIInChI=1S/C25H24N4O3S/c1-17-27-22(29-32-17)19-8-5-9-20(14-19)23(30)26-16-25(10-12-31-13-11-25)24-28-21(15-33-24)18-6-3-2-4-7-18/h2-9,14-15H,10-13,16H2,1H3,(H,26,30)
InChIKeyHJSISELVVOUMQO-UHFFFAOYSA-N
XLogP4.65
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]oxan-4-yl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71244911
4-[(5-methyl-1,3-thiazol-2-yl)amino]-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide
CID 127033254
5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]pyridine-3-carboxamide
CID 71289077
2-tert-butyl-4-[4-[4-(4-phenyl-1,3-thiazol-2-yl)-4-[[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]methyl]piperidine-1-carbonyl]phenyl]piperidine-1-carboxylic acid
CID 175422532
3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide
CID 71487667
2-[(Z)-N'-hydroxycarbamimidoyl]-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]cyclopropane-1-carboxamide;2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]cyclopropane-1-carboxamide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 172927376
N-[[4-(5-phenyl-3-propan-2-yl-4H-thiopyran-2-yl)oxan-4-yl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 123211479
3-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100514729
N-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 111477761
N-(3-chloro-2-methylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50779128
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide;2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethanamine
CID 158501624
(2S,4R)-1-[3,3-dimethyl-2-[3-[2-[4-(4-phenyl-1,3-thiazol-2-yl)-4-[[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]methyl]piperidin-1-yl]ethoxy]propanoylamino]butanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 174216331

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 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) is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide is Cc1nc(-c2cccc(C(=O)NCC3(c4nc(-c5ccccc5)cs4)CCOCC3)c2)no1.
What is the InChIKey of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide?
The InChIKey is HJSISELVVOUMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-17-27-22(29-32-17)19-8-5-9-20(14-19)23(30)26-16-25(10-12-31-13-11-25)24-28-21(15-33-24)18-6-3-2-4-7-18/h2-9,14-15H,10-13,16H2,1H3,(H,26,30).
What are the key properties of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide?
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide has a molecular weight of 460.56 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 71288985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).