N-(2-morpholin-4-ylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C19H19N5O3S — CID 3970288

IUPACN-(2-morpholin-4-ylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H19N5O3S/c25-17(13-28-19-23-22-18(27-19)14-4-3-7-20-12-14)21-15-5-1-2-6-16(15)24-8-10-26-11-9-24/h1-7,12H,8-11,13H2,(H,21,25)
InChIKeyXPEXBRMGCYSHSF-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.70
Rot. Bonds6

About N-(2-morpholin-4-ylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(2-morpholin-4-ylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3970288) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID3970288
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC NameN-(2-morpholin-4-ylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H19N5O3S/c25-17(13-28-19-23-22-18(27-19)14-4-3-7-20-12-14)21-15-5-1-2-6-16(15)24-8-10-26-11-9-24/h1-7,12H,8-11,13H2,(H,21,25)
InChIKeyXPEXBRMGCYSHSF-UHFFFAOYSA-N
XLogP2.70
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 3995204
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4032094
N-(2-morpholin-4-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3605716
N-(2-cyanophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7559268
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3440507
N-(4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4899903
N-(2-methyl-3-nitrophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3604653
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 4222932
N-benzyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 758301
N-(3,4-dichlorophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 1206474
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4044383
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 4274050

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 3970288) is N-(2-morpholin-4-ylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is XPEXBRMGCYSHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c25-17(13-28-19-23-22-18(27-19)14-4-3-7-20-12-14)21-15-5-1-2-6-16(15)24-8-10-26-11-9-24/h1-7,12H,8-11,13H2,(H,21,25).
What are the key properties of N-(2-morpholin-4-ylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(2-morpholin-4-ylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 397.46 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3970288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).