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

C24H23N5O3S — CID 71289019

IUPAC3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide
SMILESCc1nc(-c2cccc(C(=O)NCC3(c4nc(-c5ccccn5)cs4)CCOCC3)c2)no1
InChIInChI=1S/C24H23N5O3S/c1-16-27-21(29-32-16)17-5-4-6-18(13-17)22(30)26-15-24(8-11-31-12-9-24)23-28-20(14-33-23)19-7-2-3-10-25-19/h2-7,10,13-14H,8-9,11-12,15H2,1H3,(H,26,30)
InChIKeyZZUQIJSJNITULE-UHFFFAOYSA-N
MW461.55 g/mol
LogP4.04
Rot. Bonds6

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

3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide (PubChem CID 71289019) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-pyridin-2-yl-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-pyridin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide
PubChem CID71289019
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide
SMILESCc1nc(-c2cccc(C(=O)NCC3(c4nc(-c5ccccn5)cs4)CCOCC3)c2)no1
InChIInChI=1S/C24H23N5O3S/c1-16-27-21(29-32-16)17-5-4-6-18(13-17)22(30)26-15-24(8-11-31-12-9-24)23-28-20(14-33-23)19-7-2-3-10-25-19/h2-7,10,13-14H,8-9,11-12,15H2,1H3,(H,26,30)
InChIKeyZZUQIJSJNITULE-UHFFFAOYSA-N
XLogP4.04
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-pyridin-2-yl-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-pyridin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide (CID 71289019) is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-pyridin-2-yl-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-pyridin-2-yl-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-pyridin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide is Cc1nc(-c2cccc(C(=O)NCC3(c4nc(-c5ccccn5)cs4)CCOCC3)c2)no1.
What is the InChIKey of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide?
The InChIKey is ZZUQIJSJNITULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-16-27-21(29-32-16)17-5-4-6-18(13-17)22(30)26-15-24(8-11-31-12-9-24)23-28-20(14-33-23)19-7-2-3-10-25-19/h2-7,10,13-14H,8-9,11-12,15H2,1H3,(H,26,30).
What are the key properties of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide?
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide has a molecular weight of 461.55 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 71289019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).