2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide

C20H21N5O3S — CID 32894478

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
SMILESCc1nc(CSc2ccccc2C(=O)Nc2ccc(N3CCOCC3)nc2)no1
InChIInChI=1S/C20H21N5O3S/c1-14-22-18(24-28-14)13-29-17-5-3-2-4-16(17)20(26)23-15-6-7-19(21-12-15)25-8-10-27-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,23,26)
InChIKeyQTESMXNMNASURI-UHFFFAOYSA-N
MW411.49 g/mol
LogP3.15
Rot. Bonds6

About 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide (PubChem CID 32894478) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
PubChem CID32894478
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
SMILESCc1nc(CSc2ccccc2C(=O)Nc2ccc(N3CCOCC3)nc2)no1
InChIInChI=1S/C20H21N5O3S/c1-14-22-18(24-28-14)13-29-17-5-3-2-4-16(17)20(26)23-15-6-7-19(21-12-15)25-8-10-27-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,23,26)
InChIKeyQTESMXNMNASURI-UHFFFAOYSA-N
XLogP3.15
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide with MolForge

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Related Compounds

N-(4-bromophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 46530867
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 36653747
N-(4-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 46549403
2-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 119946355
1-benzyl-2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxamide
CID 30771595
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 60557369
2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)quinoline-3-carboxamide
CID 86915804
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 37095800
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 71943116
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 39505038
N-(4-chloro-3-nitrophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 55530532
1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone
CID 36708662

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide (CID 32894478) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide is Cc1nc(CSc2ccccc2C(=O)Nc2ccc(N3CCOCC3)nc2)no1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The InChIKey is QTESMXNMNASURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c1-14-22-18(24-28-14)13-29-17-5-3-2-4-16(17)20(26)23-15-6-7-19(21-12-15)25-8-10-27-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,23,26).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide has a molecular weight of 411.49 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 32894478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).