4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide

C23H17N5O2S — CID 121024811

IUPAC4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESCc1nc(-c2ccc(C(=O)Nc3cc(-c4nc5cccnc5s4)ccc3C)cc2)no1
InChIInChI=1S/C23H17N5O2S/c1-13-5-6-17(22-27-18-4-3-11-24-23(18)31-22)12-19(13)26-21(29)16-9-7-15(8-10-16)20-25-14(2)30-28-20/h3-12H,1-2H3,(H,26,29)
InChIKeyJNRNMVQNAYPMAX-UHFFFAOYSA-N
MW427.49 g/mol
LogP5.28
Rot. Bonds4

About 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide

4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 121024811) has the molecular formula C23H17N5O2S and a molecular weight of 427.49 g/mol. Its IUPAC name is 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
PubChem CID121024811
Molecular FormulaC23H17N5O2S
Molecular Weight427.49 g/mol
Exact Mass427.11
IUPAC Name4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESCc1nc(-c2ccc(C(=O)Nc3cc(-c4nc5cccnc5s4)ccc3C)cc2)no1
InChIInChI=1S/C23H17N5O2S/c1-13-5-6-17(22-27-18-4-3-11-24-23(18)31-22)12-19(13)26-21(29)16-9-7-15(8-10-16)20-25-14(2)30-28-20/h3-12H,1-2H3,(H,26,29)
InChIKeyJNRNMVQNAYPMAX-UHFFFAOYSA-N
XLogP5.28
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.49
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dichloro-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024743
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-4-propan-2-yloxybenzamide
CID 121024749
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121024802
4-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141366
1-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxopyridine-3-carboxamide
CID 121024820
2,3-dimethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 3292217
6-chloro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide
CID 7087663
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-9H-xanthene-9-carboxamide
CID 15944888
3,5-dimethoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141342
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-tert-butylbenzamide
CID 3116484
2-(2-methoxyphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024794
2-(3-methylphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024714

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (CID 121024811) is 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is Cc1nc(-c2ccc(C(=O)Nc3cc(-c4nc5cccnc5s4)ccc3C)cc2)no1.
What is the InChIKey of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is JNRNMVQNAYPMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2S/c1-13-5-6-17(22-27-18-4-3-11-24-23(18)31-22)12-19(13)26-21(29)16-9-7-15(8-10-16)20-25-14(2)30-28-20/h3-12H,1-2H3,(H,26,29).
What are the key properties of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 427.49 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 121024811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).